N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V025-8704 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 601.68 |
| Molecular Formula: | C31 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5646 |
| logD: | 3.4919 |
| logSw: | -3.7255 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.16 |
| InChI Key: | ZPTNJCMAPBMISB-UHFFFAOYSA-N |