3-({[2,5-dimethyl-1-(4-nitrophenyl)-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-({[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-({[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3794-0193 |
| Compound Name: | 3-({[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1cc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3093 |
| logD: | 4.2793 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.083 |
| InChI Key: | VUJMQSNYLBWPNK-UHFFFAOYSA-N |