N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-3-nitrobenzamide
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-3479 |
| Compound Name: | N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CCC(C)N(CC(N(Cc1ccccc1)Cc1c(C)ccs1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.138 |
| logD: | 5.138 |
| logSw: | -5.0514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.861 |
| InChI Key: | JSKXJKIHRQODKS-FQEVSTJZSA-N |