1-[(4-fluoroanilino)methyl]-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-fluoroanilino)methyl]-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-fluoroanilino)methyl]-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-5762 |
| Compound Name: | 1-[(4-fluoroanilino)methyl]-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 523.68 |
| Molecular Formula: | C31 H30 F N5 S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCN3C(CNc4ccc(cc4)F)=Nn(c1C(Nc1ccc(C)cc1)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.1413 |
| logD: | 8.1413 |
| logSw: | -6.0312 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.427 |
| InChI Key: | LKQLPVNUFOWRTJ-UHFFFAOYSA-N |