1-(2,5-dimethylbenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Chemical Structure Depiction of
1-(2,5-dimethylbenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
1-(2,5-dimethylbenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Compound characteristics
| Compound ID: | T599-3340 |
| Compound Name: | 1-(2,5-dimethylbenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C18 H22 N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCCN(C)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2759 |
| logD: | 3.2759 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.351 |
| InChI Key: | JEDGDVWABGKGHC-UHFFFAOYSA-N |