1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-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-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-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-1551 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | C1Cc2ccccc2N(C(CSc2nnc(c3ccccc3)[nH]2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.8575 |
| logD: | 3.6658 |
| logSw: | -4.7758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.18 |
| InChI Key: | WRLWKWKFMYMKPP-UHFFFAOYSA-N |