4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3297 |
| Compound Name: | 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C24 H21 N3 O7 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9857 |
| logD: | 3.9665 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.658 |
| InChI Key: | LYTKBXBLYKHQCE-UHFFFAOYSA-N |