N-(2-methoxyphenyl)-4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(2-methoxyphenyl)-4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3593 |
| Compound Name: | N-(2-methoxyphenyl)-4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9861 |
| logD: | 1.9364 |
| logSw: | -2.7803 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.275 |
| InChI Key: | QNBIYSOFMXNKAG-UHFFFAOYSA-N |