2-(benzylsulfanyl)-1-methyl-5-[4-(2-methylpropoxy)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-methyl-5-[4-(2-methylpropoxy)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-(benzylsulfanyl)-1-methyl-5-[4-(2-methylpropoxy)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0615 |
| Compound Name: | 2-(benzylsulfanyl)-1-methyl-5-[4-(2-methylpropoxy)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CC(C)COc1ccc(cc1)C1CC(NC2=C1C(N=C(N2C)SCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7641 |
| logD: | 3.6641 |
| logSw: | -3.9863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.581 |
| InChI Key: | FOKCERKSFDBEJD-FQEVSTJZSA-N |