methyl {[4-(morpholine-4-carbonyl)-3,5-dinitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(morpholine-4-carbonyl)-3,5-dinitrophenyl]sulfanyl}acetate
methyl {[4-(morpholine-4-carbonyl)-3,5-dinitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8010-6214 |
| Compound Name: | methyl {[4-(morpholine-4-carbonyl)-3,5-dinitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 385.35 |
| Molecular Formula: | C14 H15 N3 O8 S |
| Smiles: | COC(CSc1cc(c(C(N2CCOCC2)=O)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0329 |
| logD: | 1.0329 |
| logSw: | -1.9705 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 111.535 |
| InChI Key: | TUBCXTCIZCJIIL-UHFFFAOYSA-N |