N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-phenylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-phenylpiperazine-1-carboxamide
N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-phenylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6819 |
| Compound Name: | N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-phenylpiperazine-1-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | C[C@@H](C(Nc1ccc2c(c1)OCO2)=O)NC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7983 |
| logD: | 2.7945 |
| logSw: | -3.4053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.931 |
| InChI Key: | QKDRKPZATWVEDZ-HNNXBMFYSA-N |