N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V023-5835 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 590.1 |
| Molecular Formula: | C30 H28 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccccc2[Cl])nn1)C(CN(Cc1ccc2c(c1)OCO2)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5872 |
| logD: | 4.5811 |
| logSw: | -4.6646 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.23 |
| InChI Key: | NJTIHMFRSYJZTR-UHFFFAOYSA-N |