7-[4-(3-methoxyphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(3-methoxyphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(3-methoxyphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1512 |
| Compound Name: | 7-[4-(3-methoxyphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)c1cccc(c1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1541 |
| logD: | 3.1537 |
| logSw: | -3.6093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.905 |
| InChI Key: | YHXWLHMZHOWDBJ-OAHLLOKOSA-N |