7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | E975-1538 |
| Compound Name: | 7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.888 |
| logD: | 3.8877 |
| logSw: | -4.2584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.061 |
| InChI Key: | YPXFDFPSWXDWLD-UHFFFAOYSA-N |