tert-butyl 2-(ethylsulfanyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(ethylsulfanyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-(ethylsulfanyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3949 |
| Compound Name: | tert-butyl 2-(ethylsulfanyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 387.54 |
| Molecular Formula: | C21 H29 N3 O2 S |
| Smiles: | CCSC1C(c2ccc(C)cc2)=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.6638 |
| logD: | 4.6638 |
| logSw: | -4.3043 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.242 |
| InChI Key: | DNVMLDKJFZIEEM-UHFFFAOYSA-N |