3-(3-fluorophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(3-fluorophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(3-fluorophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0595 |
| Compound Name: | 3-(3-fluorophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H20 F N3 O3 S |
| Smiles: | C1CN(CCC12NC(C(c1cccc(c1)F)=N2)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3151 |
| logD: | 2.2753 |
| logSw: | -2.9774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.195 |
| InChI Key: | OOTJYPQLTWFDRP-UHFFFAOYSA-N |