N-[(4-methylphenyl)methyl]-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
N-[(4-methylphenyl)methyl]-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0130 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | Cc1ccc(CNS(c2cc3C(NCCCn3c2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4964 |
| logD: | 1.496 |
| logSw: | -2.4989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.721 |
| InChI Key: | BKYXVOYUGWHGEC-UHFFFAOYSA-N |