butyl 4-{2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Chemical Structure Depiction of
butyl 4-{2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
butyl 4-{2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3771-7344 |
| Compound Name: | butyl 4-{2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C(=C\c1ccc(c2ccc(cc2)[N+]([O-])=O)o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.249 |
| logD: | 6.1889 |
| logSw: | -5.4986 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.385 |
| InChI Key: | VKJAITBCQZOJHP-UHFFFAOYSA-N |