4-amino-5-(4-cyclohexylpiperazine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide
Chemical Structure Depiction of
4-amino-5-(4-cyclohexylpiperazine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide
4-amino-5-(4-cyclohexylpiperazine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide
Compound characteristics
Compound ID: | M050-0731 |
Compound Name: | 4-amino-5-(4-cyclohexylpiperazine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide |
Molecular Weight: | 457.59 |
Molecular Formula: | C23 H31 N5 O3 S |
Smiles: | COc1ccc(CNC(c2c(c(C(N3CCN(CC3)C3CCCCC3)=O)sn2)N)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.6738 |
logD: | 2.5174 |
logSw: | -2.9783 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 82.585 |
InChI Key: | ZLIKLRSJDFDGIL-UHFFFAOYSA-N |