8-(2,5-dimethylbenzene-1-sulfonyl)-3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2,5-dimethylbenzene-1-sulfonyl)-3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2,5-dimethylbenzene-1-sulfonyl)-3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0605 |
| Compound Name: | 8-(2,5-dimethylbenzene-1-sulfonyl)-3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H22 F N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)NC(C(c1cccc(c1)F)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4758 |
| logD: | 3.4359 |
| logSw: | -3.722 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | KUAHBSSPDCHPPG-UHFFFAOYSA-N |