8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0590 |
| Compound Name: | 8-(3-chloro-4-fluorobenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 435.9 |
| Molecular Formula: | C20 H19 Cl F N3 O3 S |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)S(c2ccc(c(c2)[Cl])F)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.46 |
| logD: | 3.4591 |
| logSw: | -3.9775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | GXMZCZTYJVHXIJ-UHFFFAOYSA-N |