methyl 4,5-dimethyl-2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}thiophene-3-carboxylate
methyl 4,5-dimethyl-2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-1983 |
| Compound Name: | methyl 4,5-dimethyl-2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2c(C)n(c3ccc4c(c3)c(c3ccccc3)on4)nn2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.8822 |
| logD: | 1.2035 |
| logSw: | -4.835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.624 |
| InChI Key: | OZMVZAPDHJGSJG-UHFFFAOYSA-N |