N-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
N-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
N-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0099 |
| Compound Name: | N-methyl-N-(4-methylphenyl)-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(cc1)N(C)S(c1cc2C(NCCCn2c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7987 |
| logD: | 1.7987 |
| logSw: | -2.576 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.784 |
| InChI Key: | KBIAFFSFZZHDBM-UHFFFAOYSA-N |