N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-ethyl-N-[(4-fluorophenyl)methyl]urea
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-ethyl-N-[(4-fluorophenyl)methyl]urea
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-ethyl-N-[(4-fluorophenyl)methyl]urea
Compound characteristics
| Compound ID: | V005-0697 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-ethyl-N-[(4-fluorophenyl)methyl]urea |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C29 H35 F N6 O4 |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8788 |
| logD: | 2.7658 |
| logSw: | -3.2629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.398 |
| InChI Key: | HDXLBHVIUYNWKT-UHFFFAOYSA-N |