1-(4-tert-butylphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(4-tert-butylphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-5102 |
| Compound Name: | 1-(4-tert-butylphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2ccc(cc2)C(C)(C)C)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4602 |
| logD: | 6.4602 |
| logSw: | -5.7282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.936 |
| InChI Key: | OCRQDKSXQTXVSC-JOCHJYFZSA-N |