5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D271-0686 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc3c(c2)OCCO3)C(N=C1SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6478 |
| logD: | 1.5478 |
| logSw: | -2.6409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.905 |
| InChI Key: | UFECHIMBABTUHO-INIZCTEOSA-N |