(3-chlorophenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Chemical Structure Depiction of
(3-chlorophenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
(3-chlorophenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone
Compound characteristics
| Compound ID: | C915-0226 |
| Compound Name: | (3-chlorophenyl)[3-(4-fluorophenyl)-8-methyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl]methanone |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C21 H19 Cl F N3 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(N2C(c1cccc(c1)[Cl])=O)=S)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3909 |
| logD: | 0.7803 |
| logSw: | -3.9432 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.2815 |
| InChI Key: | ZRBJHDVIVZNMQZ-UHFFFAOYSA-N |