4-{[2-(heptylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(heptylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
4-{[2-(heptylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3308 |
| Compound Name: | 4-{[2-(heptylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CCCCCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1472 |
| logD: | 5.1279 |
| logSw: | -4.8398 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.656 |
| InChI Key: | GECJLFBVHDXVGF-UHFFFAOYSA-N |