N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-methylthiophene-2-carboxamide
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S925-0034 |
| Compound Name: | N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | Cc1cccc(CN2[C@@H](C)C(N(C)C[C@H]2CNC(c2c(C)ccs2)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.1076 |
| logD: | 3.0976 |
| logSw: | -3.1594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.489 |
| InChI Key: | DFVZRJHKEPWPFU-FUHWJXTLSA-N |