(2-chlorophenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
(2-chlorophenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C915-0176 |
| Compound Name: | (2-chlorophenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone |
| Molecular Weight: | 411.95 |
| Molecular Formula: | C22 H22 Cl N3 O S |
| Smiles: | CCN1CCC2(CC1)N=C(C(N2C(c1ccccc1[Cl])=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6139 |
| logD: | 0.8498 |
| logSw: | -4.0114 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.3417 |
| InChI Key: | XWBTYQIQCAIGNI-UHFFFAOYSA-N |