N-ethyl-N-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
N-ethyl-N-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
N-ethyl-N-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0075 |
| Compound Name: | N-ethyl-N-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CCN(c1cccc(C)c1)S(c1cc2C(NCCCn2c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9145 |
| logD: | 1.9145 |
| logSw: | -2.5918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.513 |
| InChI Key: | WIBQLOINTLSMKT-UHFFFAOYSA-N |