4-amino-N~5~-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~5~-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
4-amino-N~5~-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0930 |
| Compound Name: | 4-amino-N~5~-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | COc1cccc(CNC(c2c(c(C(NCCC3CCCCC=3)=O)sn2)N)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8487 |
| logD: | 2.8487 |
| logSw: | -3.3851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 87.291 |
| InChI Key: | IDFJSGSPJZHCPN-UHFFFAOYSA-N |