4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-2355 |
| Compound Name: | 4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 530.07 |
| Molecular Formula: | C29 H25 Cl F N5 S |
| Smiles: | C1CCN2C(CNc3ccc(cc3)F)=Nn3c(C(Nc4ccccc4)=S)c(c4ccc(cc4)[Cl])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.6976 |
| logD: | 7.6976 |
| logSw: | -6.9727 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.427 |
| InChI Key: | RTTQKENVTLFPEX-UHFFFAOYSA-N |