N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C545-0454 |
| Compound Name: | N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C21 H20 F3 N3 S |
| Smiles: | C1CCc2c(C1)c1cc(CNC(Nc3cccc(c3)C(F)(F)F)=S)ccc1[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.9202 |
| logD: | 4.9202 |
| logSw: | -4.9811 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 31.1536 |
| InChI Key: | BBITXEPNYYVHJK-UHFFFAOYSA-N |