5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D383-0094 |
| Compound Name: | 5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 406.28 |
| Molecular Formula: | C18 H20 Br N3 O3 |
| Smiles: | CC(C)(CO)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9031 |
| logD: | 2.9031 |
| logSw: | -3.0967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.454 |
| InChI Key: | KFDLJYXLTRETLW-UHFFFAOYSA-N |