tert-butyl 2-(3,4-dimethylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(3,4-dimethylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(3,4-dimethylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3438 |
| Compound Name: | tert-butyl 2-(3,4-dimethylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7346 |
| logD: | 4.733 |
| logSw: | -4.4481 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.589 |
| InChI Key: | JBIYQYARYUVLPM-UHFFFAOYSA-N |