tert-butyl 2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6899 |
| Compound Name: | tert-butyl 2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C29 H34 N4 O6 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8611 |
| logD: | 3.861 |
| logSw: | -4.0675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.487 |
| InChI Key: | ZCQHEKXARHDDIH-UHFFFAOYSA-N |