tert-butyl 2-(3,4-dimethylphenyl)-3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(3,4-dimethylphenyl)-3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-(3,4-dimethylphenyl)-3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3746 |
| Compound Name: | tert-butyl 2-(3,4-dimethylphenyl)-3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C29 H36 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)C1C(=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7946 |
| logD: | 5.7946 |
| logSw: | -5.4388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.664 |
| InChI Key: | ODTQBKICGCTCOW-UHFFFAOYSA-N |