N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | K892-0342 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 564.11 |
| Molecular Formula: | C29 H30 Cl N5 O3 S |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3501 |
| logD: | 5.3498 |
| logSw: | -6.227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.518 |
| InChI Key: | BOSNQPRHOAUAMO-IBGZPJMESA-N |