2-(butylsulfanyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
2-(butylsulfanyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
2-(butylsulfanyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0455 |
| Compound Name: | 2-(butylsulfanyl)-8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 494.05 |
| Molecular Formula: | C23 H25 Cl F N3 O2 S2 |
| Smiles: | CCCCSC1C(c2ccccc2)=NC2(CCN(CC2)S(c2ccc(c(c2)[Cl])F)(=O)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.2719 |
| logD: | 5.2719 |
| logSw: | -5.8513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | GLHBPPMTOKWBCN-UHFFFAOYSA-N |