2-(5-chloro-1H-indol-3-yl)-N-({5-[(7-methoxy-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-[(7-methoxy-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-[(7-methoxy-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: | 8019-7173 |
| Compound Name: | 2-(5-chloro-1H-indol-3-yl)-N-({5-[(7-methoxy-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: | 486.93 |
| Molecular Formula: | C23 H24 Cl N3 O4 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1cc(CC2CC(CNCCc3c[nH]c4ccc(cc34)[Cl])=NO2)cc2c1OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0321 |
| logD: | 3.7435 |
| logSw: | -4.4462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.886 |
| InChI Key: | KIMBBEOIVQHYFH-SFHVURJKSA-N |