4-{2-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
4-{2-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K284-5995 |
| Compound Name: | 4-{2-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 658.55 |
| Molecular Formula: | C27 H24 Br N5 O6 S2 |
| Smiles: | COc1cc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2cc1OC)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3103 |
| logD: | 2.3096 |
| logSw: | -2.8788 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.119 |
| InChI Key: | CRLORQDGKRWFOK-UHFFFAOYSA-N |