N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1655 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 474.64 |
| Molecular Formula: | C23 H30 N4 O3 S2 |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NS(c1ccc2c(c1)NC(CC(C)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5073 |
| logD: | 1.5756 |
| logSw: | -2.9963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.309 |
| InChI Key: | PTFMWKFXTNOBMS-QGZVFWFLSA-N |