N-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V026-8463 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 491.66 |
| Molecular Formula: | C27 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8353 |
| logD: | 4.8021 |
| logSw: | -4.4066 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.365 |
| InChI Key: | XHHHFJWJUHQLFB-UHFFFAOYSA-N |