4-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
Compound ID: | C241-1347 |
Compound Name: | 4-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
Molecular Weight: | 482 |
Molecular Formula: | C25 H24 Cl N3 O3 S |
Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(Cc3ccc(cc3)[Cl])C2=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5752 |
logD: | 4.5752 |
logSw: | -4.6267 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.735 |
InChI Key: | RRPCUVUIQDBBIQ-UHFFFAOYSA-N |