tert-butyl 2-(4-tert-butylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(4-tert-butylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(4-tert-butylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3343 |
| Compound Name: | tert-butyl 2-(4-tert-butylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C22 H31 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3963 |
| logD: | 5.3877 |
| logSw: | -5.3415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.589 |
| InChI Key: | CKZJJYWVNAAFLW-UHFFFAOYSA-N |