tert-butyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-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-(3,4-dimethylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6863 |
| Compound Name: | tert-butyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(CN1C(C(c2cccs2)=NC12CCN(CC2)C(=O)OC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0478 |
| logD: | 5.0478 |
| logSw: | -4.5939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.505 |
| InChI Key: | ZPDZEHIUASJLSW-UHFFFAOYSA-N |