1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one
1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | T599-1562 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C22 H26 N2 O3 |
| Smiles: | CC(C)CC(N1CCCN(Cc2ccc3c(c2)OCO3)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2568 |
| logD: | 4.2568 |
| logSw: | -4.2184 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.384 |
| InChI Key: | RSBYKKJPIJWVLV-UHFFFAOYSA-N |