N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0393 |
| Compound Name: | N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CN(C)CCN(Cc1ccccc1)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.635 |
| logD: | 1.0887 |
| logSw: | -2.2311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.588 |
| InChI Key: | NBRAZBKKDZVNFI-UHFFFAOYSA-N |