5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0776 |
| Compound Name: | 5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C24 H29 Cl N6 O4 |
| Smiles: | CCOc1ccc(CCNC(c2c(N)n(CC(Nc3cccc(c3C)[Cl])=O)nn2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0292 |
| logD: | 2.029 |
| logSw: | -2.9895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.323 |
| InChI Key: | QMMPNQSEIRDASR-UHFFFAOYSA-N |