1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,3-thiazol-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-(1,3-thiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6391-0034 |
| Compound Name: | 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 485.31 |
| Molecular Formula: | C21 H13 Br N2 O5 S |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(C(N1c1nccs1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4621 |
| logD: | 3.421 |
| logSw: | -3.906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.483 |
| InChI Key: | MKGMDGNYLLLTEC-MRXNPFEDSA-N |