ethyl 2-{2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-5539 |
| Compound Name: | ethyl 2-{2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C23 H23 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc2N(C)C(c3ccccc3n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0702 |
| logD: | 1.11 |
| logSw: | -3.6681 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.967 |
| InChI Key: | UFSKVWIRGUEPCE-UHFFFAOYSA-N |