2-(benzylsulfanyl)-1-methyl-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-methyl-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-(benzylsulfanyl)-1-methyl-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0590 |
| Compound Name: | 2-(benzylsulfanyl)-1-methyl-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)OCC#C)C(N=C1SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5611 |
| logD: | 2.4611 |
| logSw: | -2.9563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.5 |
| InChI Key: | CCKPXXCTJAGYNM-IBGZPJMESA-N |