Chemical Compound

AC1LW1AD

CAS Registry Number72930-61-1
AC1LW1AD chemical structure
Primary record

AC1LW1AD

CAS
72930-61-1
PubChem CID
1716294
SMILES
C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSC5=CC=C(C=C5)Cl
Molecular Formula
C23H15Cl3N4S
Molecular Weight
485.827
Exact Mass
484.0083
InChI
InChI=1S/C23H15Cl3N4S/c24-14-5-8-16(9-6-14)31-13-22-29-28-21-12-27-23(17-3-1-2-4-19(17)26)18-11-15(25)7-10-20(18)30(21)22/h1-11H,12-13H2
InChIKey
IBVLRPUJFRLXBI-UHFFFAOYSA-N
LogP
6.8708
TPSA
43.07

Names and synonyms

  • AC1LW1AD
  • RefChem:296837
  • Oprea1_826116
  • BRN 4604575
  • C23H15Cl3N4S
  • DTXSID10223223
  • DTXCID10145714
  • IBVLRPUJFRLXBI-UHFFFAOYSA-N
  • C23-H15-Cl3-N4-S
  • ZINC2049840
  • CID1716294
  • 72930-61-1
  • LS-156315
  • 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((4-chlorophenyl)thio)methyl)-
  • AE-641/30154013
  • 8-chloro-6-(2-chlorophenyl)-1-[(4-chlorophenyl)sulfanylmethyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
  • 8-chloro-6-(2-chlorophenyl)-1-[(4-chlorophenyl)sulfanylmethy
  • [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl 4-chlorophenyl sulfide
  • 8-Chloro-6-(2-chlorophenyl)-1-{[(4-chlorophenyl)sulfanyl]methyl}-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine