N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide
Compound characteristics
| Compound ID: | K783-6439 |
| Compound Name: | N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]-1'-carbothioamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | COc1cccc(c1)NC(N1CCC2(CC1)CC(c1ccccc1O2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.806 |
| logD: | 3.806 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.472 |
| InChI Key: | RUIAFENTRPDRHP-UHFFFAOYSA-N |