2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D271-0684 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C23 H20 Cl N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc3c(c2)OCCO3)C(N=C1SCc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5518 |
| logD: | 2.4517 |
| logSw: | -3.6064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.905 |
| InChI Key: | XEVSSZAFPRCOHN-INIZCTEOSA-N |