3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0332 |
| Compound Name: | 3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C26 H24 Cl N3 O4 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Cl])(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4385 |
| logD: | 3.4384 |
| logSw: | -3.9507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.708 |
| InChI Key: | DIBKSYKVGJLAKU-DEOSSOPVSA-N |