2-(5-chloro-1H-indol-3-yl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--oxalic acid (2/1)
Chemical Structure Depiction of
2-(5-chloro-1H-indol-3-yl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--oxalic acid (2/1)
2-(5-chloro-1H-indol-3-yl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-5367 |
| Compound Name: | 2-(5-chloro-1H-indol-3-yl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--oxalic acid (2/1) |
| Molecular Weight: | 516.96 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1cc(CC2CC(CNCCc3c[nH]c4ccc(cc34)[Cl])=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9757 |
| logD: | 3.6871 |
| logSw: | -4.4389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.287 |
| InChI Key: | NSEMIDVGXGVHBZ-SFHVURJKSA-N |