N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide
Chemical Structure Depiction of
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide
Compound characteristics
| Compound ID: | V021-3660 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide |
| Molecular Weight: | 470.01 |
| Molecular Formula: | C25 H32 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7445 |
| logD: | 3.7384 |
| logSw: | -4.0458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.091 |
| InChI Key: | DCXVNXQUFDDRJW-UHFFFAOYSA-N |