N-(4-chloro-2-fluorophenyl)-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G020-0437 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C18 H17 Cl F N5 O2 S |
| Smiles: | Cn1cc2c(C(N(CC3CC3)C(=N2)SCC(Nc2ccc(cc2F)[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6223 |
| logD: | 2.6174 |
| logSw: | -3.4658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.192 |
| InChI Key: | FQZCIUAXIVMYTP-UHFFFAOYSA-N |