N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V016-3364 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C28 H30 F N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9496 |
| logD: | 3.9477 |
| logSw: | -3.8113 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | BYMFMSUATJKHPR-UHFFFAOYSA-N |