2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | 8017-7894 |
| Compound Name: | 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 465.6 |
| Molecular Formula: | C23 H23 N5 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSC1=NC(C=C(N)N1CCc1ccccc1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2001 |
| logD: | 2.3412 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.712 |
| InChI Key: | LNGSZWHVVJIALL-UHFFFAOYSA-N |