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 |