3-(3-chlorophenyl)-10-ethoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(3-chlorophenyl)-10-ethoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(3-chlorophenyl)-10-ethoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1095 |
| Compound Name: | 3-(3-chlorophenyl)-10-ethoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Smiles: | CCOc1cccc2C3C(C(Nc4ccc(cc4)OC)=O)C(C)(N(C(N3)=S)c3cccc(c3)[Cl])Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6537 |
| logD: | 5.6529 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.042 |
| InChI Key: | KPTFVWUQAUKURF-UHFFFAOYSA-N |