化合物产品

DTXSID30546345

CAS 登记号100827-83-6
DTXSID30546345 chemical structure
主记录

DTXSID30546345

CAS
100827-83-6
PubChem CID
13670770
SMILES
CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)OC)C(=NC2)C4=CC=CC=C4Cl
分子式
C19H17ClN4O2S
分子量
400.891
精确分子量
400.0761
InChI
InChI=1S/C19H17ClN4O2S/c1-11-22-23-16-10-21-18(13-5-3-4-6-15(13)20)14-9-12(7-8-17(25)26-2)27-19(14)24(11)16/h3-6,9H,7-8,10H2,1-2H3
InChIKey
VSABTYQNDUFGOA-UHFFFAOYSA-N
LogP
3.7472
TPSA
69.37

名称与别名

  • 100827-83-6
  • 4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic Acid Methyl Ester
  • SCHEMBL8928557
  • CTK8E4527
  • DTXSID30546345
  • VSABTYQNDUFGOA-UHFFFAOYSA-N
  • ZINC34121003
  • AKOS030240977
  • FC20337
  • DB-304928
  • RT-009112
  • Desbromo Brotizolam 2-Propanoic Acid Methyl Ester
  • FT-0664910
  • Methyl 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]propanoate
  • 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-, methyl ester
  • Methyl 2-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]thiazolo[4,3-a][1,4]diaze-pin-2-yl]ethane-1-carboxylate
  • 4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic Acid Me
  • Methyl 2-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]thiazolo[4,3-a][1,4]diaze-<br/>pin-2-yl]ethane-1-carboxylate
  • Methyl 2-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]thiazolo[4,3-a][1,4]diaze-pin-2-yl]ethane-1-carboxylate; Desbromo Brotizolam 2-Propanoic Acid Methyl Ester
  • Methyl 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]propanoate