9-(4-methylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(4-methylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(4-methylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0313 |
| Compound Name: | 9-(4-methylbenzene-1-sulfonyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 517.01 |
| Molecular Formula: | C23 H27 F3 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(N1CCC2(CC1)C(NCc1ccc(cc1)C(F)(F)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8823 |
| logD: | 0.1081 |
| logSw: | -3.9046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | ICQZCZIYXOXPBB-UHFFFAOYSA-N |