2-(ethylsulfanyl)-8-(4-methylbenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
2-(ethylsulfanyl)-8-(4-methylbenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
2-(ethylsulfanyl)-8-(4-methylbenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0122 |
| Compound Name: | 2-(ethylsulfanyl)-8-(4-methylbenzene-1-sulfonyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Smiles: | CCSC1C(c2ccccc2)=NC2(CCN(CC2)S(c2ccc(C)cc2)(=O)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.2528 |
| logD: | 4.2528 |
| logSw: | -4.0954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | RACQWMOUVNGOFB-UHFFFAOYSA-N |