2-({[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-5440 |
| Compound Name: | 2-({[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1cccc(c1)N1C(C(=C/Nc2c(C#N)c3CCCCc3s2)\C(=NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8184 |
| logD: | -3.9732 |
| logSw: | -3.2314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.172 |
| InChI Key: | SVKJXQICIMWACL-UHFFFAOYSA-N |