tert-butyl 4-[2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 4-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6862 |
| Compound Name: | tert-butyl 4-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CN1C(C(c2cccs2)=NC12CCN(CC2)C(=O)OC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4838 |
| logD: | 4.4838 |
| logSw: | -4.1389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.505 |
| InChI Key: | VPBDPOGBDHSFNY-UHFFFAOYSA-N |