9-(3,5-dimethylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(3,5-dimethylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(3,5-dimethylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-2486 |
| Compound Name: | 9-(3,5-dimethylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 531.04 |
| Molecular Formula: | C24 H29 F3 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1cc(C)cc(c1)S(N1CCC2(CC1)C(NCc1ccc(cc1)C(F)(F)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1981 |
| logD: | 0.4239 |
| logSw: | -4.2109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | IGTSZDNKXPFCGW-UHFFFAOYSA-N |