3-({[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-({[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-({[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3794-0196 |
| Compound Name: | 3-({[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.41 |
| Molecular Formula: | C23 H20 Cl2 N4 O S |
| Smiles: | Cc1cc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)c(C)n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6919 |
| logD: | 5.6619 |
| logSw: | -6.2367 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.702 |
| InChI Key: | OSEDXEFGIHZTEU-UHFFFAOYSA-N |