7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1831 |
| Compound Name: | 7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 496.05 |
| Molecular Formula: | C22 H26 Cl N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)CCOc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8077 |
| logD: | 3.8041 |
| logSw: | -4.3021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.095 |
| InChI Key: | VXUCPHXSKCDKDW-MRXNPFEDSA-N |