4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-propylbenzamide
Chemical Structure Depiction of
4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-propylbenzamide
4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-propylbenzamide
Compound characteristics
| Compound ID: | K781-1581 |
| Compound Name: | 4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-propylbenzamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C16 H23 N3 O4 S |
| Smiles: | CCCNC(c1ccc(c(c1)[N+]([O-])=O)SCC(N(CC)CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4751 |
| logD: | 2.4751 |
| logSw: | -2.8282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.25 |
| InChI Key: | XALJGYWBWWVTHV-UHFFFAOYSA-N |