(4-tert-butylphenyl)[8-ethyl-3-(4-fluorophenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[8-ethyl-3-(4-fluorophenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
(4-tert-butylphenyl)[8-ethyl-3-(4-fluorophenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Compound characteristics
| Compound ID: | C915-0136 |
| Compound Name: | (4-tert-butylphenyl)[8-ethyl-3-(4-fluorophenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C26 H30 F N3 O S |
| Smiles: | CCN1CCC2(CC1)N=C(C(N2C(c1ccc(cc1)C(C)(C)C)=O)=S)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.2665 |
| logD: | 2.5024 |
| logSw: | -5.1472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.3417 |
| InChI Key: | XELUVYXYXVQHRO-UHFFFAOYSA-N |