N-[(2S)-3-methyl-1-oxo-1-{[(pyridin-4-yl)methyl]amino}butan-2-yl]-4-phenylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-[(2S)-3-methyl-1-oxo-1-{[(pyridin-4-yl)methyl]amino}butan-2-yl]-4-phenylpiperazine-1-carboxamide
N-[(2S)-3-methyl-1-oxo-1-{[(pyridin-4-yl)methyl]amino}butan-2-yl]-4-phenylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y044-5245 |
| Compound Name: | N-[(2S)-3-methyl-1-oxo-1-{[(pyridin-4-yl)methyl]amino}butan-2-yl]-4-phenylpiperazine-1-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)[C@@H](C(NCc1ccncc1)=O)NC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6382 |
| logD: | 1.6344 |
| logSw: | -1.5435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.755 |
| InChI Key: | KZIJNJUUUQTJQQ-FQEVSTJZSA-N |