tert-butyl 2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3948 |
| Compound Name: | tert-butyl 2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.2271 |
| logD: | 4.2271 |
| logSw: | -4.1313 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.242 |
| InChI Key: | KYEFJBKKXFVXCI-UHFFFAOYSA-N |