[4-{[(4-bromophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
Chemical Structure Depiction of
[4-{[(4-bromophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
[4-{[(4-bromophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
Compound characteristics
| Compound ID: | E544-0773 |
| Compound Name: | [4-{[(4-bromophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol |
| Molecular Weight: | 534.47 |
| Molecular Formula: | C27 H24 Br N3 O2 S |
| Smiles: | CCc1ccc(cc1)c1nc2c(Cc3c(CO)cnc(C)c3O2)c(n1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.0168 |
| logD: | 7.0139 |
| logSw: | -5.7046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.644 |
| InChI Key: | VSSGPMAXUFQEKF-UHFFFAOYSA-N |