8-chloro-2-methyl-3-(4-methylphenyl)-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-chloro-2-methyl-3-(4-methylphenyl)-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-chloro-2-methyl-3-(4-methylphenyl)-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0072 |
| Compound Name: | 8-chloro-2-methyl-3-(4-methylphenyl)-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C23 H19 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(N(C2CC1(C)Oc1ccc(cc12)[Cl])C(c1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3745 |
| logD: | 5.3745 |
| logSw: | -5.9152 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.209 |
| InChI Key: | GPAFUZMFBZLSSU-UHFFFAOYSA-N |