propan-2-yl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
propan-2-yl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
propan-2-yl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6197-5897 |
| Compound Name: | propan-2-yl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC1CCc2c3C(N(Cc4ccc(cc4)C(=O)OC(C)C)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0857 |
| logD: | 5.0857 |
| logSw: | -5.0185 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.188 |
| InChI Key: | BUCQMZAOZKHALR-CYBMUJFWSA-N |