N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V016-8446 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C26 H30 F N5 O2 S |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4409 |
| logD: | 4.4391 |
| logSw: | -4.0593 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.365 |
| InChI Key: | MMCVEHMKDOIFBV-UHFFFAOYSA-N |