methyl 2-[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
methyl 2-[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0815 |
| Compound Name: | methyl 2-[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(NC2(CCN(CC2)S(c2ccccc2C(=O)OC)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1039 |
| logD: | 4.0991 |
| logSw: | -4.1964 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.474 |
| InChI Key: | ZAGSPZBCSQVFLR-UHFFFAOYSA-N |