N-[3-(1H-benzimidazol-2-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0381 |
| Compound Name: | N-[3-(1H-benzimidazol-2-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CS(N1CCCn2c(C1)ccc2C(NCCCc1nc2ccccc2[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7598 |
| logD: | 1.7521 |
| logSw: | -2.428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.069 |
| InChI Key: | LDCSWPRFWSTVEG-UHFFFAOYSA-N |