3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8004-7969 |
| Compound Name: | 3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 429.41 |
| Molecular Formula: | C18 H15 N5 O6 S |
| Smiles: | CC1=Nc2c(C(N1/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.536 |
| logD: | 0.3073 |
| logSw: | -4.076 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.565 |
| InChI Key: | FNEULFGAFKMJMJ-UHFFFAOYSA-N |