N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1404 |
| Compound Name: | N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cc(C)ccc3OC1(C)N(CCCOC)C(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8318 |
| logD: | 4.8315 |
| logSw: | -4.5467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.109 |
| InChI Key: | UEFSNWJUWZSFRB-UHFFFAOYSA-N |