{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-methoxyphenyl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | T599-1559 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C25 H24 N2 O4 |
| Smiles: | COc1ccc(cc1)C(N1CCCN(Cc2ccc3c(c2)OCO3)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4424 |
| logD: | 4.4424 |
| logSw: | -4.319 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.184 |
| InChI Key: | CGVUELWVRLCJCE-UHFFFAOYSA-N |