N-butyl-4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
N-butyl-4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-1582 |
| Compound Name: | N-butyl-4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C17 H25 N3 O4 S |
| Smiles: | CCCCNC(c1ccc(c(c1)[N+]([O-])=O)SCC(N(CC)CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0618 |
| logD: | 3.0618 |
| logSw: | -3.584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.25 |
| InChI Key: | VCAWVAPJTRWDEX-UHFFFAOYSA-N |