7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-0079 |
| Compound Name: | 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C22 H24 Cl N3 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1954 |
| logD: | 2.1953 |
| logSw: | -3.331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.808 |
| InChI Key: | LFPAZUDITJOEBR-UHFFFAOYSA-N |