4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V006-7567 |
| Compound Name: | 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide |
| Molecular Weight: | 507.98 |
| Molecular Formula: | C26 H26 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(NCc1ccc(cc1)[Cl])=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6747 |
| logD: | 3.6742 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.8 |
| InChI Key: | NNDVUMGDZBMXEN-UHFFFAOYSA-N |