2-butanamido-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-butanamido-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-butanamido-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0122 |
| Compound Name: | 2-butanamido-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N(CC)CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4403 |
| logD: | -2.2628 |
| logSw: | -2.4526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.767 |
| InChI Key: | PVBJVNMRBFSERK-UHFFFAOYSA-N |