methyl 2-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
methyl 2-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0816 |
| Compound Name: | methyl 2-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)S(c2ccccc2C(=O)OC)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8274 |
| logD: | 2.8265 |
| logSw: | -3.5713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.474 |
| InChI Key: | KISIPIXXRKSVKP-UHFFFAOYSA-N |