3-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0037 |
| Compound Name: | 3-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4554 |
| logD: | 2.4362 |
| logSw: | -2.8384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.86 |
| InChI Key: | GRRIVICLPQRCMD-UHFFFAOYSA-N |