3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3332 |
| Compound Name: | 3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C18 H28 N4 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCCCN1CCN(C)CC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2971 |
| logD: | 0.4825 |
| logSw: | -2.48 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.506 |
| InChI Key: | KVOMHVCITJPZCB-CQSZACIVSA-N |