N-(2-methoxyphenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
N-(2-methoxyphenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
Compound characteristics
| Compound ID: | K781-3280 |
| Compound Name: | N-(2-methoxyphenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0477 |
| logD: | 4.0284 |
| logSw: | -4.2286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.561 |
| InChI Key: | WBBWWYYLIKVNKO-UHFFFAOYSA-N |