N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-4-nitrobenzamide
N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | V013-0179 |
| Compound Name: | N-(2-{benzyl[(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-4-nitrobenzamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | Cc1ccc(CN(Cc2ccccc2)C(CN(C(c2ccc(cc2)[N+]([O-])=O)=O)C(C)(C)C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9221 |
| logD: | 4.9221 |
| logSw: | -4.619 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.64 |
| InChI Key: | RUTVMSRSYFOZPR-UHFFFAOYSA-N |