tert-butyl 4-[2-(4-chloroanilino)-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-chloroanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6859 |
| Compound Name: | tert-butyl 4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 503.02 |
| Molecular Formula: | C24 H27 Cl N4 O4 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(N2CC(Nc1ccc(cc1)[Cl])=O)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6551 |
| logD: | 4.655 |
| logSw: | -4.7983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.505 |
| InChI Key: | VOPHIFCLFWWZBH-UHFFFAOYSA-N |