{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | L105-0369 |
| Compound Name: | {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C18 H16 N4 O S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CC=C)C(=N2)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6596 |
| logD: | 2.6596 |
| logSw: | -2.9543 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.958 |
| InChI Key: | WSMHMFOUYNCQHA-UHFFFAOYSA-N |