N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 8013-3171 |
| Compound Name: | N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-[(4-fluoroanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 548.45 |
| Molecular Formula: | C29 H24 Cl2 F N5 O |
| Smiles: | C1CCN2C(CNc3ccc(cc3)F)=Nn3c(C(Nc4cccc(c4)[Cl])=O)c(c4ccc(cc4)[Cl])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.9847 |
| logD: | 7.9846 |
| logSw: | -6.9041 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.037 |
| InChI Key: | CMSFJDHDKJLORL-UHFFFAOYSA-N |