methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6872-2664 |
| Compound Name: | methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C21 H13 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1c1nncs1)=O)Oc1ccccc1C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0463 |
| logD: | 3.0463 |
| logSw: | -3.6715 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.645 |
| InChI Key: | RPBAJDSGONSMDP-MRXNPFEDSA-N |