N-(2-{4-[6-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide
Compound characteristics
| Compound ID: | V020-4436 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methyl-N-(prop-2-en-1-yl)butanamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C27 H37 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9902 |
| logD: | 2.8771 |
| logSw: | -3.1288 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.352 |
| InChI Key: | LOJFUTQYMSCSOU-UHFFFAOYSA-N |