7-chloro-2-{3-[(propan-2-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-chloro-2-{3-[(propan-2-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-chloro-2-{3-[(propan-2-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0726 |
| Compound Name: | 7-chloro-2-{3-[(propan-2-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 384.88 |
| Molecular Formula: | C20 H17 Cl N2 O2 S |
| Smiles: | CC(C)Oc1cccc(c1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.1771 |
| logD: | 4.2385 |
| logSw: | -5.7275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.438 |
| InChI Key: | IARJMBNQJRTCSD-UHFFFAOYSA-N |