4-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-3-nitrobenzamide
4-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3306 |
| Compound Name: | 4-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CCC(C)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5386 |
| logD: | 3.5193 |
| logSw: | -3.9577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.256 |
| InChI Key: | RKPFFRRPWINUOA-ZDUSSCGKSA-N |