N-benzyl-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-benzyl-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
N-benzyl-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V021-6919 |
| Compound Name: | N-benzyl-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide |
| Molecular Weight: | 600.12 |
| Molecular Formula: | C33 H34 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCCN(CC1)C(CN(Cc1ccccc1)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 4.307 |
| logSw: | -4.6873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.357 |
| InChI Key: | UOYIWGZBZCHCID-UHFFFAOYSA-N |