6-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D252-0079 |
| Compound Name: | 6-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C28 H28 N4 O3 |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1ccccc1n1cc2c(C(N(C)C(N2C)=O)=O)c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3209 |
| logD: | 4.0352 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.816 |
| InChI Key: | VBHUHWREBBZVRY-UHFFFAOYSA-N |