(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.5]dec-3-en-1-yl)methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.5]dec-3-en-1-yl)methanone
(4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.5]dec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C250-0723 |
| Compound Name: | (4-chloro-3-nitrophenyl)(3-phenyl-2-sulfanylidene-1,4-diazaspiro[4.5]dec-3-en-1-yl)methanone |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | C1CCC2(CC1)N=C(C(N2C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.336 |
| logD: | 4.336 |
| logSw: | -4.5801 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.886 |
| InChI Key: | QDXSOSSBFLTSTG-UHFFFAOYSA-N |