N-(3-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
Compound ID: | K788-6047 |
Compound Name: | N-(3-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide |
Molecular Weight: | 387.97 |
Molecular Formula: | C21 H26 Cl N3 S |
Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2cccc(c2C)[Cl])=S)c1 |
Stereo: | ACHIRAL |
logP: | 6.3293 |
logD: | 6.1836 |
logSw: | -6.325 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 14.7193 |
InChI Key: | DUOZNPGYHSFFNN-UHFFFAOYSA-N |