methyl 2-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
methyl 2-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D545-0155 |
| Compound Name: | methyl 2-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C27 H23 N5 O4 |
| Smiles: | CCCc1c(C(Nc2ccccc2C(=O)OC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 5.5478 |
| logD: | 5.2059 |
| logSw: | -5.6657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.642 |
| InChI Key: | YHJUJEOQRFVMIB-UHFFFAOYSA-N |