3-(5'-tert-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
Chemical Structure Depiction of
3-(5'-tert-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
3-(5'-tert-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
Compound characteristics
| Compound ID: | IB03-1899 |
| Compound Name: | 3-(5'-tert-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid |
| Molecular Weight: | 419.86 |
| Molecular Formula: | C20 H22 Cl N3 O5 |
| Smiles: | CC(C)(C)N1C(C2C(C1=O)C1(C(Nc3ccc(cc13)[Cl])=O)NC2CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.74 |
| logD: | -2.09 |
| logSw: | -2.28 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 169.86 |
| InChI Key: | WLEQSPJYLSONTB-UHFFFAOYSA-N |