9-(benzenesulfonyl)-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-(benzenesulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(benzenesulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0351 |
| Compound Name: | 9-(benzenesulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 502.99 |
| Molecular Formula: | C22 H25 F3 N4 O2 S |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1ccc(cc1)C(F)(F)F)=NCCN2)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2739 |
| logD: | -0.5004 |
| logSw: | -3.6061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | CZBUGKYZGFVMJT-UHFFFAOYSA-N |