7-chloro-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-chloro-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-chloro-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0052 |
| Compound Name: | 7-chloro-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 372.89 |
| Molecular Formula: | C18 H13 Cl N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.2789 |
| logD: | 4.8296 |
| logSw: | -5.9889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | GUJYBMMKTQMTAQ-UHFFFAOYSA-N |