4-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}phenyl thiocyanate
4-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | 8544-0673 |
| Compound Name: | 4-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}phenyl thiocyanate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C24 H16 N6 O2 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)SC#N)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.8318 |
| logD: | 4.8313 |
| logSw: | -4.6579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.452 |
| InChI Key: | SJQQFKRDOKQAIF-UHFFFAOYSA-N |