N-benzyl-1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-benzyl-1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-benzyl-1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8017-8882 |
| Compound Name: | N-benzyl-1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 544.09 |
| Molecular Formula: | C30 H27 Cl F N5 S |
| Smiles: | C1CCN2C(CNc3ccc(cc3)[Cl])=Nn3c(C(NCc4ccccc4)=S)c(c4ccc(cc4)F)c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.4369 |
| logD: | 7.4369 |
| logSw: | -6.908 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.75 |
| InChI Key: | TVTHUQPMNOBRDB-UHFFFAOYSA-N |