3-{[4-(3-chloro-4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-3H-1-benzazepin-2-ol
Chemical Structure Depiction of
3-{[4-(3-chloro-4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-3H-1-benzazepin-2-ol
3-{[4-(3-chloro-4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-3H-1-benzazepin-2-ol
Compound characteristics
| Compound ID: | IB04-1437 |
| Compound Name: | 3-{[4-(3-chloro-4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-3H-1-benzazepin-2-ol |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H16 Cl F N4 O S |
| Smiles: | Cc1nnc(n1c1ccc(c(c1)[Cl])F)SC1CCc2ccccc2N=C1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.68 |
| logD: | 3.4 |
| logSw: | -4.22 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.73 |
| InChI Key: | DKUPUVXEIRPPMA-KRWDZBQOSA-N |