3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V027-5222 |
| Compound Name: | 3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 560.64 |
| Molecular Formula: | C28 H31 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC1C(N(Cc2cccc(c2)C(F)(F)F)C2(CCN(CC2)S(c2cccc3cccnc23)(=O)=O)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6771 |
| logD: | 4.6534 |
| logSw: | -4.6532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.916 |
| InChI Key: | HVUVUDQYSAQORR-HSZRJFAPSA-N |