N-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0413 |
| Compound Name: | N-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C19 H29 N5 O3 S |
| Smiles: | CCN(Cc1cn(CC)nc1C)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0223 |
| logD: | 1.0223 |
| logSw: | -2.1395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.323 |
| InChI Key: | UNNBJDJCGMPLJS-UHFFFAOYSA-N |