7-chloro-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
7-chloro-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0302 |
| Compound Name: | 7-chloro-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 353.78 |
| Molecular Formula: | C19 H13 Cl F N3 O |
| Smiles: | Cc1ccc(C2N=C(c3ccc(cc3)F)Nc3ccc(cc3N=2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8443 |
| logD: | 4.8418 |
| logSw: | -4.9178 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.568 |
| InChI Key: | IAPNHIDYMHRFDO-UHFFFAOYSA-N |