N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)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-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V025-8727 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C30 H29 N5 O5 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0026 |
| logD: | 3.8907 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.443 |
| InChI Key: | HFFBUEGVQBXEMJ-UHFFFAOYSA-N |