5-amino-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0747 |
| Compound Name: | 5-amino-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C22 H25 F N6 O4 |
| Smiles: | COc1ccc(CCNC(Cn2c(c(C(NCc3ccc(cc3)F)=O)nn2)N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.1786 |
| logD: | 0.1786 |
| logSw: | -2.0286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.184 |
| InChI Key: | NSNAOWTXJYAXGO-UHFFFAOYSA-N |