6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
Chemical Structure Depiction of
6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | Y040-1294 |
| Compound Name: | 6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C26 H25 Cl N2 O5 |
| Smiles: | CCOC1C(c2ccccc2)NC(N(C)C=1COc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8747 |
| logD: | 4.8746 |
| logSw: | -4.9797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64 |
| InChI Key: | GYIUNXXYTXXROE-HSZRJFAPSA-N |