N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0521 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NS(c1cc2C(N(C)CCCn2c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6535 |
| logD: | -0.2782 |
| logSw: | -2.4173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.215 |
| InChI Key: | WTJKIOUXUVEEEU-UHFFFAOYSA-N |