[4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-2-(3-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
Chemical Structure Depiction of
[4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-2-(3-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
[4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-2-(3-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
Compound characteristics
| Compound ID: | E544-0802 |
| Compound Name: | [4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-2-(3-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C28 H27 N3 O2 S |
| Smiles: | Cc1cccc(c1)c1nc2c(Cc3c(CO)cnc(C)c3O2)c(n1)SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.1267 |
| logD: | 7.1237 |
| logSw: | -5.6659 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.644 |
| InChI Key: | BXZAGDVTIKUSCE-UHFFFAOYSA-N |