3-{[(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 1400-7866 |
| Compound Name: | 3-{[(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 449.31 |
| Molecular Formula: | C18 H16 I N3 O S |
| Smiles: | CC1=Nc2c(C(N1/N=C/c1ccccc1I)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3231 |
| logD: | 4.321 |
| logSw: | -4.4952 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.624 |
| InChI Key: | QXJKVBQBZUTOLW-UHFFFAOYSA-N |