N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Compound characteristics
| Compound ID: | C498-0681 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C21 H17 Br N2 O3 S |
| Smiles: | CN1C(c2cc(C(NCc3cc(ccc3OC)[Br])=O)sc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2727 |
| logD: | 4.2727 |
| logSw: | -4.3604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.169 |
| InChI Key: | FMRAIEHJSCEOET-UHFFFAOYSA-N |