N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V027-5311 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C30 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9758 |
| logD: | 2.8628 |
| logSw: | -3.1111 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.151 |
| InChI Key: | IHAMWBCTTUBFOH-UHFFFAOYSA-N |