7-chloro-2-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-chloro-2-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-chloro-2-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0665 |
| Compound Name: | 7-chloro-2-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 382.87 |
| Molecular Formula: | C20 H15 Cl N2 O2 S |
| Smiles: | C=CCOc1cccc(c1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.0959 |
| logD: | 4.1574 |
| logSw: | -5.5621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.053 |
| InChI Key: | JBERLGBNFQLPFH-UHFFFAOYSA-N |