methyl 4-chloro-2-[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamamido]benzoate
methyl 4-chloro-2-[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G719-1411 |
| Compound Name: | methyl 4-chloro-2-[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamamido]benzoate |
| Molecular Weight: | 431.85 |
| Molecular Formula: | C20 H19 Cl F N5 O3 |
| Smiles: | COC(c1ccc(cc1NC(NCCc1nc(Cc2ccc(cc2)F)[nH]n1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4005 |
| logD: | 3.29 |
| logSw: | -3.9613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.947 |
| InChI Key: | VYWSZEPADNVYQP-UHFFFAOYSA-N |