5-(4-chlorophenyl)-7-methoxy-2-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
5-(4-chlorophenyl)-7-methoxy-2-phenyl-3H-1,3,4-benzotriazepine
5-(4-chlorophenyl)-7-methoxy-2-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 8009-7081 |
| Compound Name: | 5-(4-chlorophenyl)-7-methoxy-2-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 361.83 |
| Molecular Formula: | C21 H16 Cl N3 O |
| Smiles: | COc1ccc2c(c1)C(c1ccc(cc1)[Cl])=NNC(c1ccccc1)=N2 |
| Stereo: | ACHIRAL |
| logP: | 5.0909 |
| logD: | 4.1071 |
| logSw: | -5.3719 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.486 |
| InChI Key: | CJEJSIUORMPNKJ-UHFFFAOYSA-N |