1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-{[5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y020-2592 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | COc1ccccc1c1nnc([nH]1)SCC(N1c2ccccc2CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5193 |
| logD: | 3.4672 |
| logSw: | -4.337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.811 |
| InChI Key: | GVXNMSHMQYWOLJ-UHFFFAOYSA-N |