(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl)methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl)methanone
(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C250-0724 |
| Compound Name: | (4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl)methanone |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Smiles: | C1CCCC2(CC1)N=C(C(N2C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8319 |
| logD: | 4.8319 |
| logSw: | -5.0161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.217 |
| InChI Key: | PVZNZSIMEXQYBT-UHFFFAOYSA-N |