5-(4-tert-butylphenyl)-6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(4-tert-butylphenyl)-6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0153 |
| Compound Name: | 5-(4-tert-butylphenyl)-6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 437.93 |
| Molecular Formula: | C24 H24 Cl N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1c1cc(ccc1O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7182 |
| logD: | 5.7147 |
| logSw: | -5.8028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.035 |
| InChI Key: | PEWWPTAVSQAERR-UHFFFAOYSA-N |