methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
Chemical Structure Depiction of
methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
Compound characteristics
| Compound ID: | C855-0066 |
| Compound Name: | methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C24 H22 Cl N3 O4 |
| Smiles: | Cc1c(CN2C(C3CCCN3c3ccc(cc23)C(=O)OC)=O)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0643 |
| logD: | 4.0643 |
| logSw: | -4.488 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.454 |
| InChI Key: | PHVNNHBJHLPOII-HXUWFJFHSA-N |