N'-ethyl-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}urea
Chemical Structure Depiction of
N'-ethyl-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}urea
N'-ethyl-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | V027-5397 |
| Compound Name: | N'-ethyl-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}urea |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H31 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(N1CCCN(CC1)c1ccc(c2ccccc2)nn1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2732 |
| logD: | 3.2671 |
| logSw: | -3.2844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.137 |
| InChI Key: | VFMOLBDTMPHBMG-UHFFFAOYSA-N |