{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(cyclopropyl)methanone
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(cyclopropyl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(cyclopropyl)methanone
Compound characteristics
Compound ID: | T599-1571 |
Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(cyclopropyl)methanone |
Molecular Weight: | 350.42 |
Molecular Formula: | C21 H22 N2 O3 |
Smiles: | C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2N(C1)C(C1CC1)=O |
Stereo: | ACHIRAL |
logP: | 3.6452 |
logD: | 3.6451 |
logSw: | -3.8956 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 36.163 |
InChI Key: | WUDLZGJUKHOJQR-UHFFFAOYSA-N |