tert-butyl 2-(4-chlorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(4-chlorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(4-chlorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3905 |
| Compound Name: | tert-butyl 2-(4-chlorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 379.91 |
| Molecular Formula: | C18 H22 Cl N3 O2 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)NC(C(c1ccc(cc1)[Cl])=N2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1965 |
| logD: | 4.1879 |
| logSw: | -4.6474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.589 |
| InChI Key: | ZBNJREBVGLYONR-UHFFFAOYSA-N |