2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-cyclopropyl-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-cyclopropyl-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-cyclopropyl-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0140 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-cyclopropyl-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C23 H19 Cl F N3 O S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(C1CC1)C(=N2)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5366 |
| logD: | 5.5366 |
| logSw: | -5.7962 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.4974 |
| InChI Key: | MPCUMTYCSCTEJO-UHFFFAOYSA-N |