N-(3-chlorophenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
N-(3-chlorophenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Compound characteristics
| Compound ID: | K783-6437 |
| Compound Name: | N-(3-chlorophenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C20 H19 Cl N2 O2 S |
| Smiles: | C1CN(CCC12CC(c1ccccc1O2)=O)C(Nc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.4931 |
| logD: | 4.4931 |
| logSw: | -4.6284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.9282 |
| InChI Key: | DOAAMLFRRIGZCH-UHFFFAOYSA-N |