2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0171 |
| Compound Name: | 2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C18 H13 Cl N2 O2 |
| Smiles: | Cc1ccc2c(CC3=C(N=C(c4cccc(c4)[Cl])NC3=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.083 |
| logD: | 3.4337 |
| logSw: | -4.5581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.717 |
| InChI Key: | TWRKUMPIYOQZEW-UHFFFAOYSA-N |