N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
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)thiophene-2-carboxamide
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-5493 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0569 |
| logD: | 4.0237 |
| logSw: | -3.9364 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.365 |
| InChI Key: | RZCRMLZNGWHGTL-UHFFFAOYSA-N |