N-(2-chloro-4-methylphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
N-(2-chloro-4-methylphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Compound characteristics
| Compound ID: | K783-6440 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C21 H21 Cl N2 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1CCC2(CC1)CC(c1ccccc1O2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.807 |
| logD: | 4.807 |
| logSw: | -4.8782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.2304 |
| InChI Key: | ZGLSBGRRUBTIPJ-UHFFFAOYSA-N |