N-butyl-2-(methanesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-butyl-2-(methanesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-butyl-2-(methanesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0372 |
| Compound Name: | N-butyl-2-(methanesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C20 H34 N4 O3 S |
| Smiles: | CCCCN(C1CCN(C)CC1)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7928 |
| logD: | -0.2944 |
| logSw: | -2.5409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.443 |
| InChI Key: | WPWNDXKDWODWQD-UHFFFAOYSA-N |