N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y503-0500 |
| Compound Name: | N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide |
| Molecular Weight: | 538.13 |
| Molecular Formula: | C28 H28 Cl N3 O2 S2 |
| Smiles: | CCC(C)(C)C1CCc2c(C(N)=O)c(NC(c3cc(c4ccc(s4)[Cl])nc4ccccc34)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3653 |
| logD: | 6.1173 |
| logSw: | -6.1984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.181 |
| InChI Key: | LAKAAQDNPDLMTP-OAHLLOKOSA-N |