5-tert-butyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
Chemical Structure Depiction of
5-tert-butyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
5-tert-butyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
Compound characteristics
| Compound ID: | K417-0224 |
| Compound Name: | 5-tert-butyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione |
| Molecular Weight: | 310.48 |
| Molecular Formula: | C15 H22 N2 O S2 |
| Smiles: | CC(C)(C)N1CN(Cc2ccc(cc2)OC)C(=S)SC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8999 |
| logD: | 3.8983 |
| logSw: | -4.1105 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 16.3068 |
| InChI Key: | ROFLDIPDQFMTPW-UHFFFAOYSA-N |