3-(4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-7-methoxy-2H-1-benzopyran-2-one
3-(4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-3881 |
| Compound Name: | 3-(4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | CC1CCc2c3c(nc(C4=Cc5ccc(cc5OC4=O)OC)nc3sc2C1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6221 |
| logD: | 5.6221 |
| logSw: | -6.0067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.666 |
| InChI Key: | YQKKOPAMJXHSLQ-SNVBAGLBSA-N |