1-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Chemical Structure Depiction of
1-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
1-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Compound characteristics
| Compound ID: | T599-3512 |
| Compound Name: | 1-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine |
| Molecular Weight: | 354.83 |
| Molecular Formula: | C16 H16 Cl F N2 O2 S |
| Smiles: | CN1CCCN(c2ccccc12)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.98 |
| logD: | 2.98 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.351 |
| InChI Key: | ZQMJHJXRYWFGQU-UHFFFAOYSA-N |