2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(prop-2-en-1-yl)acetamide
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | J095-0259 |
| Compound Name: | 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(N(CC=C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1589 |
| logD: | 2.1587 |
| logSw: | -2.6688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.757 |
| InChI Key: | CDNZUNDNPLZVTM-UHFFFAOYSA-N |