N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | S925-0118 |
| Compound Name: | N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | CCn1c(C)c(cn1)C(NC[C@@H]1CN(C)C([C@H](C)N1Cc1cccc(C)c1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1196 |
| logD: | 2.1147 |
| logSw: | -2.7838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | ZJXMRFCFKKCLRQ-HKUYNNGSSA-N |