3-(4-methoxyphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-methoxyphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0470 |
| Compound Name: | 3-(4-methoxyphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COc1ccc(cc1)C1C(NC2(CCN(CC2)S(Cc2ccccc2)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0279 |
| logD: | 2.0231 |
| logSw: | -2.6207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.738 |
| InChI Key: | ZRLIUJZWVZWOIA-UHFFFAOYSA-N |