3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0060 |
| Compound Name: | 3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C15 H12 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4545 |
| logD: | 3.4545 |
| logSw: | -3.9963 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.788 |
| InChI Key: | VVHOYYXCVRNGKR-UHFFFAOYSA-N |