4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V004-3277 |
| Compound Name: | 4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 507.99 |
| Molecular Formula: | C27 H27 Cl F N5 O2 |
| Salt: | not_available |
| Smiles: | C=CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1209 |
| logD: | 4.119 |
| logSw: | -4.5131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | CUMDIZDNACRBOD-UHFFFAOYSA-N |