ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5,6-dihydro-1,4-dioxine-2-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
Chemical Structure Depiction of
ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5,6-dihydro-1,4-dioxine-2-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5,6-dihydro-1,4-dioxine-2-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
Compound characteristics
| Compound ID: | G786-2370 |
| Compound Name: | ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5,6-dihydro-1,4-dioxine-2-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C22 H21 N3 O5 S2 |
| Smiles: | CCOC(N1CCc2c(c(NC(C3=COCCO3)=O)sc2C1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4892 |
| logD: | 1.7793 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.619 |
| InChI Key: | VELVCTWBSNFTID-UHFFFAOYSA-N |