{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(furan-3-yl)methanone
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(furan-3-yl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(furan-3-yl)methanone
Compound characteristics
| Compound ID: | T599-1529 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(furan-3-yl)methanone |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C22 H20 N2 O4 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2N(C1)C(c1ccoc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7941 |
| logD: | 3.7941 |
| logSw: | -3.9905 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.443 |
| InChI Key: | WIBSORKKWUGMKI-UHFFFAOYSA-N |