ethyl 4-({3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioyl}amino)benzoate
ethyl 4-({3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K788-6051 |
| Compound Name: | ethyl 4-({3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCN(Cc2cc(C)ccc2C)C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7797 |
| logD: | 5.634 |
| logSw: | -5.3317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.171 |
| InChI Key: | VNOSXANOKUMIMD-UHFFFAOYSA-N |