tert-butyl 2-{[2-(4-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6688 |
| Compound Name: | tert-butyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C25 H30 N4 O4 S2 |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(cc1)OC)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5887 |
| logD: | 4.5887 |
| logSw: | -4.2813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.682 |
| InChI Key: | REYCGUNGNQWZSC-UHFFFAOYSA-N |