methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6391-0393 |
| Compound Name: | methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C22 H15 N3 O5 S |
| Smiles: | Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2ccc(cc2)C(=O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.14 |
| logD: | 3.1399 |
| logSw: | -3.5626 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.421 |
| InChI Key: | VMWSMBGQJUBCOC-QGZVFWFLSA-N |