6-tert-butyl-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-tert-butyl-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-tert-butyl-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0176 |
| Compound Name: | 6-tert-butyl-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 345.83 |
| Molecular Formula: | C18 H20 Cl N3 O2 |
| Smiles: | CC(C)(C)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5103 |
| logD: | 3.5103 |
| logSw: | -4.5402 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.754 |
| InChI Key: | APOUMSZWRJGCJB-UHFFFAOYSA-N |