N-(2-methoxyphenyl)-4-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-4-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
N-(2-methoxyphenyl)-4-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3284 |
| Compound Name: | N-(2-methoxyphenyl)-4-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C20 H23 N3 O6 S |
| Smiles: | COCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6062 |
| logD: | 2.5869 |
| logSw: | -3.2846 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.998 |
| InChI Key: | ZVKOFPREMVXOKR-UHFFFAOYSA-N |