2-(3-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(3-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0006 |
| Compound Name: | 2-(3-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 310.74 |
| Molecular Formula: | C17 H11 Cl N2 O2 |
| Smiles: | C1C2=C(N=C(c3cccc(c3)[Cl])NC2=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7983 |
| logD: | 3.149 |
| logSw: | -4.4228 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.717 |
| InChI Key: | PQLMYUFUEIVUKX-UHFFFAOYSA-N |