N-(2-{4-[6-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-5370 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C27 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1341 |
| logD: | 3.0211 |
| logSw: | -3.2291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.626 |
| InChI Key: | YFJWZNMWRSFKSD-UHFFFAOYSA-N |