N-[benzyl(phenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[benzyl(phenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[benzyl(phenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0317 |
| Compound Name: | N-[benzyl(phenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 531.68 |
| Molecular Formula: | C33 H29 N3 O2 S |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(N(Cc2ccccc2)c2ccccc2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.9415 |
| logD: | 7.9415 |
| logSw: | -5.8673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.88 |
| InChI Key: | WYBPNBFETKLAOB-UHFFFAOYSA-N |