N-(2-{[4-(4-chlorophenyl)-1-(3-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[4-(4-chlorophenyl)-1-(3-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[4-(4-chlorophenyl)-1-(3-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V020-3568 |
| Compound Name: | N-(2-{[4-(4-chlorophenyl)-1-(3-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 544.99 |
| Molecular Formula: | C29 H25 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)n1cc(c2ccc(cc2)[Cl])nc1NC(CN(CC=C)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6682 |
| logD: | 5.6682 |
| logSw: | -6.0997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.302 |
| InChI Key: | NIVLLSKEMARWRW-UHFFFAOYSA-N |