methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate
methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | G856-6008 |
| Compound Name: | methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CCN1CCc2c(c(NC(c3ccc(cc3)C(=O)OC)=O)sc2C1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3208 |
| logD: | 4.8834 |
| logSw: | -5.4107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.138 |
| InChI Key: | XKLHMMGXNMUXAT-UHFFFAOYSA-N |