tert-butyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-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-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6811 |
| Compound Name: | tert-butyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C25 H28 N4 O5 S2 |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCO2)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4394 |
| logD: | 4.4394 |
| logSw: | -4.2882 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.254 |
| InChI Key: | DNMGIAHKTFONER-UHFFFAOYSA-N |