5-(methanesulfonyl)-9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(methanesulfonyl)-9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-1,5-diazacycloundecan-2-one
5-(methanesulfonyl)-9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1386 |
| Compound Name: | 5-(methanesulfonyl)-9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CS(N1CCCC(CCNC(CC1)=O)C(N1CCC(=CC1)c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0886 |
| logD: | 1.0886 |
| logSw: | -2.3173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.445 |
| InChI Key: | ZVCCYJJBMMLNOB-FQEVSTJZSA-N |