2-(3-methylphenoxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
2-(3-methylphenoxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | T599-3307 |
| Compound Name: | 2-(3-methylphenoxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C19 H22 N2 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCCN(C)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0261 |
| logD: | 3.026 |
| logSw: | -3.2562 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.4829 |
| InChI Key: | REDSWSHTDDBNQH-UHFFFAOYSA-N |