N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)isoquinoline-1-carboxamide
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S925-0041 |
| Compound Name: | N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)isoquinoline-1-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C25 H28 N4 O2 |
| Smiles: | Cc1cccc(CN2[C@@H](C)C(N(C)C[C@H]2CNC(c2c3ccccc3ccn2)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.935 |
| logD: | 2.9244 |
| logSw: | -3.3301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.018 |
| InChI Key: | UOTWLTOCHWBLTK-RXVVDRJESA-N |