2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2283F |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1C(N(C(=Nc1n2)SCc1ccc2c(c1)OCO2)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9149 |
| logD: | 4.9118 |
| logSw: | -4.8405 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.129 |
| InChI Key: | GIUYTPMZQJVPHR-UHFFFAOYSA-N |