(4-chlorophenyl)(8-methyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Chemical Structure Depiction of
(4-chlorophenyl)(8-methyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
(4-chlorophenyl)(8-methyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C915-0273 |
| Compound Name: | (4-chlorophenyl)(8-methyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone |
| Molecular Weight: | 397.93 |
| Molecular Formula: | C21 H20 Cl N3 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(N2C(c1ccc(cc1)[Cl])=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2727 |
| logD: | 0.6622 |
| logSw: | -3.7585 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.2815 |
| InChI Key: | WSMJUEMJFROOFF-UHFFFAOYSA-N |