N-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0387 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C17 H20 Cl N3 O3 S |
| Smiles: | CS(N1CCCn2c(C1)ccc2C(NCc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3982 |
| logD: | 2.3982 |
| logSw: | -3.1191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.946 |
| InChI Key: | VDSJWKBZGUQZNW-UHFFFAOYSA-N |