2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C200-7992 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C23 H20 F N3 O S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CC=C)C(=N2)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4247 |
| logD: | 4.4247 |
| logSw: | -4.3334 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1947 |
| InChI Key: | UKMLBWYEJGMKCC-UHFFFAOYSA-N |