3-nitrophenyl 2-{[2-(dipropylamino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[2-(dipropylamino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[2-(dipropylamino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-2016 |
| Compound Name: | 3-nitrophenyl 2-{[2-(dipropylamino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CCCN(CCC)C(CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9055 |
| logD: | 3.9055 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.089 |
| InChI Key: | UHVOSJYPIBRSIO-UHFFFAOYSA-N |