[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone
[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | C297-0028 |
| Compound Name: | [2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C23 H20 N2 O2 S2 |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1cccs1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.035 |
| logD: | 5.035 |
| logSw: | -4.829 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 23.9021 |
| InChI Key: | GWBJSVQOPYPAAF-UHFFFAOYSA-N |