N-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-4277 |
| Compound Name: | N-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | Cc1c2C(NC(CSCCNC(C3=CC(Nc4ccccc34)=O)=O)=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3945 |
| logD: | 2.3942 |
| logSw: | -3.0337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.15 |
| InChI Key: | KABSEGJWZAIIPJ-UHFFFAOYSA-N |