8-(3,4-dichlorobenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
8-(3,4-dichlorobenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
8-(3,4-dichlorobenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V026-9273 |
| Compound Name: | 8-(3,4-dichlorobenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 522.37 |
| Molecular Formula: | C21 H20 Cl2 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCC12NCC(N2Cc1cccc(c1)C(F)(F)F)=O)S(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5671 |
| logD: | 4.4778 |
| logSw: | -4.5911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.897 |
| InChI Key: | ZYEPWGRZFBCGDV-UHFFFAOYSA-N |