tert-butyl 2-{[2-(4-chloroanilino)-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-chloroanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6624 |
| Compound Name: | tert-butyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 519.08 |
| Molecular Formula: | C24 H27 Cl N4 O3 S2 |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(cc1)[Cl])=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.201 |
| logD: | 5.2009 |
| logSw: | -5.6439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.138 |
| InChI Key: | DWIXHANUQCBHFN-UHFFFAOYSA-N |