1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8016-5986 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 572.77 |
| Molecular Formula: | C36 H36 N4 O S |
| Smiles: | CC(C)Cc1ccc(cc1)C(C)c1nnc(n1c1ccccc1)SCC(N1c2ccccc2CCc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.9661 |
| logD: | 8.9661 |
| logSw: | -5.817 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.419 |
| InChI Key: | WPEIJOUHFCYRQN-AREMUKBSSA-N |