7-chloro-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-chloro-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0266 |
| Compound Name: | 7-chloro-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 372.27 |
| Molecular Formula: | C18 H11 Cl2 N3 S |
| Smiles: | c1cc(cc(c1)[Cl])C1N=C(c2cccs2)Nc2ccc(cc2N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5485 |
| logD: | 5.5484 |
| logSw: | -6.0635 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | BLIOSIXHPGIZGP-UHFFFAOYSA-N |