7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1858 |
| Compound Name: | 7-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C21 H24 F N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCCN(Cc2ccc(cc2)F)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3786 |
| logD: | 3.3764 |
| logSw: | -3.8009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.438 |
| InChI Key: | GDOSRMOGHIYXOY-OAHLLOKOSA-N |