5-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0276 |
| Compound Name: | 5-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C19 H30 N4 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCCCN1CCN(C)CC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4071 |
| logD: | 0.5924 |
| logSw: | -2.5476 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.681 |
| InChI Key: | IPBRCGICQTVBKO-UHFFFAOYSA-N |