5-methyl-N-(2-oxo-2H-1-benzopyran-7-yl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-methyl-N-(2-oxo-2H-1-benzopyran-7-yl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
5-methyl-N-(2-oxo-2H-1-benzopyran-7-yl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1840 |
| Compound Name: | 5-methyl-N-(2-oxo-2H-1-benzopyran-7-yl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C26 H17 N5 O4 |
| Smiles: | Cc1c(C(Nc2ccc3C=CC(=O)Oc3c2)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.3702 |
| logD: | 4.3636 |
| logSw: | -4.4671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.063 |
| InChI Key: | KHXACUCWGJIOBR-UHFFFAOYSA-N |