7-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1719 |
| Compound Name: | 7-[4-(2-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)c1ccccc1OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.252 |
| logD: | 3.2515 |
| logSw: | -3.8132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.748 |
| InChI Key: | XXOQTSNRJNFUPN-OAHLLOKOSA-N |