7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | E975-1566 |
| Compound Name: | 7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.269 |
| logD: | 2.2688 |
| logSw: | -2.9357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.188 |
| InChI Key: | NGNPVXRNPZTNMI-UHFFFAOYSA-N |