tert-butyl 4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-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-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6865 |
| Compound Name: | tert-butyl 4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C25 H28 N4 O6 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(N2CC(Nc1ccc2c(c1)OCO2)=O)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8935 |
| logD: | 3.8935 |
| logSw: | -3.9826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.62 |
| InChI Key: | PLUFJJBGFGVYJT-UHFFFAOYSA-N |