N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)acetamide
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | V027-5481 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | CC(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6334 |
| logD: | 2.6002 |
| logSw: | -2.7387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.086 |
| InChI Key: | CMSWLCYHOXVVNL-UHFFFAOYSA-N |