1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D417-0086 |
| Compound Name: | 1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C29 H31 N3 O3 |
| Smiles: | Cc1cc2C(C3C(c4ccc(cc4)C(C)(C)C)N(CCCn4ccnc4)C(C=3Oc2cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6259 |
| logD: | 5.3841 |
| logSw: | -5.3653 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.512 |
| InChI Key: | QPVRKIUNGMWILH-RUZDIDTESA-N |