N-(2-{4-[5-(3-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[5-(3-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[5-(3-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V007-0861 |
| Compound Name: | N-(2-{4-[5-(3-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C28 H23 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1ccc(c2cccc(c2)[Cl])s1)=O)c1c(cccn1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9231 |
| logD: | 5.9078 |
| logSw: | -6.243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.384 |
| InChI Key: | VTBZWZUXWHPZFP-UHFFFAOYSA-N |