5-acetyl-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0399 |
| Compound Name: | 5-acetyl-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 488.67 |
| Molecular Formula: | C24 H32 N4 O3 S2 |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8224 |
| logD: | 1.8907 |
| logSw: | -3.4712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.541 |
| InChI Key: | RMNGZQCYGSZZQP-UHFFFAOYSA-N |