ethyl [5'-(3-chlorophenyl)-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]acetate
Chemical Structure Depiction of
ethyl [5'-(3-chlorophenyl)-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]acetate
ethyl [5'-(3-chlorophenyl)-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]acetate
Compound characteristics
Compound ID: | 8015-7354 |
Compound Name: | ethyl [5'-(3-chlorophenyl)-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]acetate |
Molecular Weight: | 528.03 |
Molecular Formula: | C26 H26 Cl N3 O5 S |
Smiles: | CCOC(CN1C(C2(C3C(C(CCSC)N2)C(N(C3=O)c2cccc(c2)[Cl])=O)c2ccccc12)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.7731 |
logD: | 2.7726 |
logSw: | -3.7166 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.434 |
InChI Key: | JFSACOGEXOVPMC-UHFFFAOYSA-N |