1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6391-0447 |
| Compound Name: | 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 528.38 |
| Molecular Formula: | C23 H18 Br N3 O5 S |
| Smiles: | CC(C)c1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2cc(c(c(c2)[Br])O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1443 |
| logD: | 4.1032 |
| logSw: | -4.3434 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.55 |
| InChI Key: | CBFGJLRCNVOMPU-QGZVFWFLSA-N |