N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V023-4804 |
| Compound Name: | N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C28 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.3568 |
| logSw: | -3.3684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.681 |
| InChI Key: | NNIOZZJAUUELPU-UHFFFAOYSA-N |