ethyl 4-({[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-({[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}carbamamido)benzoate
ethyl 4-({[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | V014-9905 |
| Compound Name: | ethyl 4-({[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C27 H26 N6 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(cc1)NC(NCc1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9795 |
| logD: | 4.9795 |
| logSw: | -4.6854 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.264 |
| InChI Key: | GPSLXROSSWSISA-UHFFFAOYSA-N |