(4-tert-butylphenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
(4-tert-butylphenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Compound characteristics
| Compound ID: | C915-0129 |
| Compound Name: | (4-tert-butylphenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C25 H28 F N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1C(C(c2ccc(cc2)F)=NC12CCN(C)CC2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6066 |
| logD: | 1.996 |
| logSw: | -4.3113 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.2815 |
| InChI Key: | NQRAENRXDKBACU-UHFFFAOYSA-N |