3-(4-tert-butylphenyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-tert-butylphenyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0564 |
| Compound Name: | 3-(4-tert-butylphenyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 477.98 |
| Molecular Formula: | C23 H25 Cl F N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(NC2(CCN(CC2)S(c2ccc(c(c2)[Cl])F)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7365 |
| logD: | 4.7317 |
| logSw: | -4.8622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | WYDZTYRWDZONRN-UHFFFAOYSA-N |