2-cyano-3-(3-methoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-(3-methoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0126 |
| Compound Name: | 2-cyano-3-(3-methoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C23 H20 N4 O4 S2 |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9532 |
| logD: | 4.9175 |
| logSw: | -4.7358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.343 |
| InChI Key: | ZGGCFHHZXXPVOX-UHFFFAOYSA-N |