3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V025-9840 |
| Compound Name: | 3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C28 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5182 |
| logD: | 3.5144 |
| logSw: | -3.7073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.89 |
| InChI Key: | AURGYMWFIMDQHU-UHFFFAOYSA-N |