Primary record
DB-263989
- CAS
- 100827-80-3
- PubChem CID
- 71433197
- SMILES
- COC(=O)CCC1=CC2=NC(=O)C=NC(=C2S1)C3=CC=CC=C3Cl
- Molecular Formula
- C17H13ClN2O3S
- Molecular Weight
- 360.822
- Exact Mass
- 360.0335
- InChI
- InChI=1S/C17H13ClN2O3S/c1-23-15(22)7-6-10-8-13-17(24-10)16(19-9-14(21)20-13)11-4-2-3-5-12(11)18/h2-5,8-9H,6-7H2,1H3
- InChIKey
- ADZIPNAMHXCVAV-UHFFFAOYSA-N
- LogP
- 3.4775
- TPSA
- 69.15
Names and synonyms
- CTK8E5451
- DB-263989
- 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one
- 100827-80-3