7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1804 |
| Compound Name: | 7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccc(cc1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3552 |
| logD: | 3.3547 |
| logSw: | -3.8175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.962 |
| InChI Key: | ASLOHRXMUJOATR-OAHLLOKOSA-N |