2-(methanesulfonyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0427 |
| Compound Name: | 2-(methanesulfonyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C18 H30 N4 O3 S |
| Smiles: | CN1CCC(CCNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.677 |
| logD: | -1.2311 |
| logSw: | -2.268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.456 |
| InChI Key: | BKZADZGQXSFJPB-UHFFFAOYSA-N |