tert-butyl 2-(4-methylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(4-methylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(4-methylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3197 |
| Compound Name: | tert-butyl 2-(4-methylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C19 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0252 |
| logD: | 4.0166 |
| logSw: | -4.036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.589 |
| InChI Key: | AEKWEMJIFXQYIQ-UHFFFAOYSA-N |