2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0193 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 452.02 |
| Molecular Formula: | C25 H26 Cl N3 O S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.083 |
| logD: | 6.083 |
| logSw: | -6.058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1947 |
| InChI Key: | XTJNBAOREVJGNP-UHFFFAOYSA-N |