N-[(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-[(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
N-[(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6733 |
| Compound Name: | N-[(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | C[C@@H](C(NCc1ccc2c(c1)OCO2)=O)NC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3412 |
| logD: | 2.3374 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.254 |
| InChI Key: | XUDKKZJDAMCPGZ-INIZCTEOSA-N |