5-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8018-6530 |
| Compound Name: | 5-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | CC(C)c1cc(CSC2=NNC(N2c2ccccc2)=O)c(C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1075 |
| logD: | 4.8885 |
| logSw: | -4.9385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.187 |
| InChI Key: | HVUYQPUWDIEVMO-UHFFFAOYSA-N |