methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1150 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 390.86 |
| Molecular Formula: | C18 H16 Cl F N4 O S |
| Smiles: | COc1cccc(c1)c1cc(/N=C(/Nc2ccc(c(c2)[Cl])F)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3361 |
| logD: | 4.8122 |
| logSw: | -6.1445 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.127 |
| InChI Key: | ATMGXPDLRQVSLD-UHFFFAOYSA-N |