8,10-dichloro-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8,10-dichloro-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8,10-dichloro-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1557 |
| Compound Name: | 8,10-dichloro-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 450.39 |
| Molecular Formula: | C21 H21 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(NC2C(C(N(C)C)=O)C1(C)Oc1c2cc(cc1[Cl])[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3956 |
| logD: | 4.3956 |
| logSw: | -4.6647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.197 |
| InChI Key: | AAJQHVZIADYBGT-UHFFFAOYSA-N |