methyl 4-{2-[(cyclohexanecarbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(cyclohexanecarbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
methyl 4-{2-[(cyclohexanecarbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 2733-3831 |
| Compound Name: | methyl 4-{2-[(cyclohexanecarbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C24 H25 N3 O6 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(C1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4684 |
| logD: | 4.2343 |
| logSw: | -4.4013 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.002 |
| InChI Key: | NRCHRDMDRATAJT-UHFFFAOYSA-N |