ethyl 4-[(4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]pyridin-2-yl}piperazine-1-carbonyl)amino]butanoate
Chemical Structure Depiction of
ethyl 4-[(4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]pyridin-2-yl}piperazine-1-carbonyl)amino]butanoate
ethyl 4-[(4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]pyridin-2-yl}piperazine-1-carbonyl)amino]butanoate
Compound characteristics
| Compound ID: | V012-4311 |
| Compound Name: | ethyl 4-[(4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]pyridin-2-yl}piperazine-1-carbonyl)amino]butanoate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C24 H29 N5 O6 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(NCCCC(=O)OCC)=O)c1c(cccn1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4994 |
| logD: | 2.484 |
| logSw: | -2.8904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.051 |
| InChI Key: | INGUAVLZRBCZGG-UHFFFAOYSA-N |