N-[3-(trifluoromethyl)phenyl]-2-[(5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(trifluoromethyl)phenyl]-2-[(5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]acetamide
N-[3-(trifluoromethyl)phenyl]-2-[(5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 4206-0008 |
| Compound Name: | N-[3-(trifluoromethyl)phenyl]-2-[(5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.47 |
| Molecular Formula: | C20 H21 F3 N4 O S |
| Smiles: | CC1(C)C2CCC1(C)c1c2nnc(n1)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0382 |
| logD: | 5.0378 |
| logSw: | -4.6941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.832 |
| InChI Key: | ZCWLMTRSOULJKR-UHFFFAOYSA-N |