2-(methanesulfonyl)-N-methyl-N-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-methyl-N-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-methyl-N-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0449 |
| Compound Name: | 2-(methanesulfonyl)-N-methyl-N-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C14 H23 N3 O3 S |
| Smiles: | CC(C)N(C)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8704 |
| logD: | 0.8704 |
| logSw: | -2.091 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.505 |
| InChI Key: | NNZYIJLPRYTFSD-UHFFFAOYSA-N |