3-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
3-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | C200-8953 |
| Compound Name: | 3-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | Cc1c(CSc2nnc(c3ccc(cc3)OC)n2N)nc(c2ccc(cc2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3657 |
| logD: | 4.3656 |
| logSw: | -4.6913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.805 |
| InChI Key: | IUCBQVQALFYGOX-UHFFFAOYSA-N |