N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-benzylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-benzylpiperazine-1-carboxamide
N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-benzylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6800 |
| Compound Name: | N-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxopropan-2-yl}-4-benzylpiperazine-1-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | C[C@@H](C(Nc1ccc2c(c1)OCO2)=O)NC(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4794 |
| logD: | 1.9574 |
| logSw: | -3.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.212 |
| InChI Key: | ITSZOWJGWMHTQD-INIZCTEOSA-N |