N-butyl-N-ethyl-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-butyl-N-ethyl-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-butyl-N-ethyl-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0386 |
| Compound Name: | N-butyl-N-ethyl-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C16 H27 N3 O3 S |
| Smiles: | CCCCN(CC)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0712 |
| logD: | 2.0712 |
| logSw: | -2.5371 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.718 |
| InChI Key: | YRAHKQBARDOEPF-UHFFFAOYSA-N |