4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1780 |
| Compound Name: | 4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 561.48 |
| Molecular Formula: | C23 H21 Br N4 O4 S2 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0588 |
| logD: | 0.4985 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.895 |
| InChI Key: | BOSPDWXHQBGMPQ-UHFFFAOYSA-N |