2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8009-2806 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C29 H24 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(COC(CSc1nc(cc(c3ccccc3)n1)c1ccccc1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.779 |
| logD: | 5.6777 |
| logSw: | -6.0237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.172 |
| InChI Key: | UVOFFIFUGBNYOK-UHFFFAOYSA-N |