N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-5988 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)SC1NC(C(C(N=1)=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7141 |
| logD: | -4.4078 |
| logSw: | -4.29 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.157 |
| InChI Key: | RYSMHDGOTOVGIN-UHFFFAOYSA-N |