methyl 2-[2-(4-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
methyl 2-[2-(4-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0812 |
| Compound Name: | methyl 2-[2-(4-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C21 H20 F N3 O5 S |
| Smiles: | COC(c1ccccc1S(N1CCC2(CC1)NC(C(c1ccc(cc1)F)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3385 |
| logD: | 2.3337 |
| logSw: | -3.0392 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.474 |
| InChI Key: | ISUBXEFILABJPW-UHFFFAOYSA-N |