4-[10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonyl]phenyl acetate
Chemical Structure Depiction of
4-[10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonyl]phenyl acetate
4-[10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonyl]phenyl acetate
Compound characteristics
| Compound ID: | IB02-6333 |
| Compound Name: | 4-[10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonyl]phenyl acetate |
| Molecular Weight: | 508.53 |
| Molecular Formula: | C30 H24 N2 O6 |
| Smiles: | CC(=O)Oc1ccc(cc1)C(C1C2C(C3c4ccccc4C=CN13)C(N(C2=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.25 |
| logD: | 2.25 |
| logSw: | -2.52 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 147.4 |
| InChI Key: | VGGJANWJEJXVGZ-UHFFFAOYSA-N |