diethyl {[{[3-(methylsulfanyl)phenyl]carbamothioyl}(2-phenylethyl)amino]methyl}phosphonate
Chemical Structure Depiction of
diethyl {[{[3-(methylsulfanyl)phenyl]carbamothioyl}(2-phenylethyl)amino]methyl}phosphonate
diethyl {[{[3-(methylsulfanyl)phenyl]carbamothioyl}(2-phenylethyl)amino]methyl}phosphonate
Compound characteristics
| Compound ID: | K784-6516 |
| Compound Name: | diethyl {[{[3-(methylsulfanyl)phenyl]carbamothioyl}(2-phenylethyl)amino]methyl}phosphonate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C21 H29 N2 O3 P S2 |
| Smiles: | CCOP(CN(CCc1ccccc1)C(Nc1cccc(c1)SC)=S)(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.195 |
| logD: | 4.195 |
| logSw: | -4.428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.119 |
| InChI Key: | UKDGCPHOFSRCNU-UHFFFAOYSA-N |