2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0195 |
| Compound Name: | 2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 340.76 |
| Molecular Formula: | C18 H13 Cl N2 O3 |
| Smiles: | Cc1ccc2c(CC3=C(N=C(c4cc(ccc4O)[Cl])NC3=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2594 |
| logD: | 2.9538 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.265 |
| InChI Key: | UKIXMVBVFDUITH-UHFFFAOYSA-N |