N-(2-methoxyphenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
N-(2-methoxyphenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3293 |
| Compound Name: | N-(2-methoxyphenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CC(C)CCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9403 |
| logD: | 3.921 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.656 |
| InChI Key: | WRXOIIGYKQPARD-UHFFFAOYSA-N |