7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1650 |
| Compound Name: | 7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C21 H24 F N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCCN(Cc2ccc(cc2)F)C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1734 |
| logD: | 3.1713 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.382 |
| InChI Key: | MLNNXQBMGQBAEY-OAHLLOKOSA-N |