tert-butyl 2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
Compound ID: | C200-3344 |
Compound Name: | tert-butyl 2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
Molecular Weight: | 363.45 |
Molecular Formula: | C18 H22 F N3 O2 S |
Smiles: | CC(C)(C)OC(N1CCC2(CC1)NC(C(c1ccc(cc1)F)=N2)=S)=O |
Stereo: | ACHIRAL |
logP: | 3.6309 |
logD: | 3.6223 |
logSw: | -3.9365 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.589 |
InChI Key: | AFWXGRGAIXAZAC-UHFFFAOYSA-N |