6-acetyl-3,3-dimethyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
6-acetyl-3,3-dimethyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6-acetyl-3,3-dimethyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8013-3308 |
| Compound Name: | 6-acetyl-3,3-dimethyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 282.34 |
| Molecular Formula: | C17 H18 N2 O2 |
| Smiles: | CC(c1cccc2c1NC1CC(C)(C)CC(C=1C=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8951 |
| logD: | 0.4944 |
| logSw: | -2.7246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.479 |
| InChI Key: | JTRUXFRWCVMMPB-UHFFFAOYSA-N |