ethyl 4-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
ethyl 4-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0826 |
| Compound Name: | ethyl 4-[2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)S(N1CCC2(CC1)NC(C(c1cccc(C)c1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5655 |
| logD: | 3.5645 |
| logSw: | -3.7779 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.054 |
| InChI Key: | MDNOPDUXCOBBTG-UHFFFAOYSA-N |