3-(4-bromophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0637 |
| Compound Name: | 3-(4-bromophenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 462.36 |
| Molecular Formula: | C20 H20 Br N3 O3 S |
| Smiles: | C1CN(CCC12NC(C(c1ccc(cc1)[Br])=N2)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8794 |
| logD: | 2.8746 |
| logSw: | -3.5638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.195 |
| InChI Key: | PYOPNNNPMJIIQA-UHFFFAOYSA-N |