methyl 4-{2-[5-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | Y070-3926 |
| Compound Name: | methyl 4-{2-[5-(2-methylpropyl)-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: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2ccc(cc2)C(=O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7565 |
| logD: | 4.7565 |
| logSw: | -4.6732 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.109 |
| InChI Key: | MAJYCTSFORREIB-HXUWFJFHSA-N |