N-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5028 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 393.91 |
| Molecular Formula: | C19 H21 Cl F N3 O S |
| Smiles: | COc1ccc(cc1NC(N1CCCN(Cc2ccc(cc2)F)C1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6038 |
| logD: | 4.5514 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.3497 |
| InChI Key: | ZJRBTXFOJULKQG-UHFFFAOYSA-N |