1-(4-tert-butylphenyl)-7-chloro-2-[3-(1H-imidazol-1-yl)propyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-7-chloro-2-[3-(1H-imidazol-1-yl)propyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(4-tert-butylphenyl)-7-chloro-2-[3-(1H-imidazol-1-yl)propyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D417-0035 |
| Compound Name: | 1-(4-tert-butylphenyl)-7-chloro-2-[3-(1H-imidazol-1-yl)propyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C27 H26 Cl N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C2=C(C(N1CCCn1ccnc1)=O)Oc1ccc(cc1C2=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1849 |
| logD: | 4.9431 |
| logSw: | -5.5244 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.512 |
| InChI Key: | JXFIWENYIQPYNO-HSZRJFAPSA-N |