N,N,2,8-tetramethyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N,N,2,8-tetramethyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N,N,2,8-tetramethyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1531 |
| Compound Name: | N,N,2,8-tetramethyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1cccc(c1)N1C(NC2C(C(N(C)C)=O)C1(C)Oc1ccc(C)cc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5163 |
| logD: | 3.5163 |
| logSw: | -3.8632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.513 |
| InChI Key: | CZZOIQVEVLBSSI-UHFFFAOYSA-N |