tert-butyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6726 |
| Compound Name: | tert-butyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 528.69 |
| Molecular Formula: | C26 H32 N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1C(c2cccs2)=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9752 |
| logD: | 4.9752 |
| logSw: | -4.4363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.262 |
| InChI Key: | PLJDKIJTZBVLBE-UHFFFAOYSA-N |