N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
Chemical Structure Depiction of
N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
Compound characteristics
| Compound ID: | V001-0423 |
| Compound Name: | N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | Cc1ccc(CN(Cc2ccccc2)C(CN(CC=C)C(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0495 |
| logD: | 5.0495 |
| logSw: | -4.6817 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.984 |
| InChI Key: | IFCIJIQXCUVRLU-UHFFFAOYSA-N |