N-(4-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(4-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5027 |
| Compound Name: | N-(4-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: | COc1cc(ccc1NC(N1CCCN(Cc2ccc(cc2)F)C1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0091 |
| logD: | 4.9567 |
| logSw: | -5.0365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.3497 |
| InChI Key: | SGHITPCPLJWHDP-UHFFFAOYSA-N |