methyl 3-{2-oxo[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-oxo[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]acetamido}thiophene-2-carboxylate
methyl 3-{2-oxo[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C909-0210 |
| Compound Name: | methyl 3-{2-oxo[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | COC(c1c(ccs1)NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9708 |
| logD: | -0.1196 |
| logSw: | -2.9724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.668 |
| InChI Key: | VUJXWRJWEPNOTG-UHFFFAOYSA-N |