tert-butyl 4-[(2,4-dimethylphenyl)methyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[(2,4-dimethylphenyl)methyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 4-[(2,4-dimethylphenyl)methyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6875 |
| Compound Name: | tert-butyl 4-[(2,4-dimethylphenyl)methyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | Cc1ccc(CN2C(C(c3cccs3)=NC23CCN(CC3)C(=O)OC(C)(C)C)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5617 |
| logD: | 5.5617 |
| logSw: | -5.2471 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.356 |
| InChI Key: | BHIXETAHYGGREI-UHFFFAOYSA-N |