5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0017 |
| Compound Name: | 5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C18 H17 Cl N6 O3 |
| Smiles: | COc1ccc(cc1NC(c1c(N)n(CC(Nc2ccccc2)=O)nn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9481 |
| logD: | 1.939 |
| logSw: | -2.9547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.369 |
| InChI Key: | MBZMOSDWFPZCJL-UHFFFAOYSA-N |