7-bromo-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-bromo-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-bromo-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0317 |
| Compound Name: | 7-bromo-4-(3-chlorophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 416.72 |
| Molecular Formula: | C18 H11 Br Cl N3 S |
| Smiles: | c1cc(cc(c1)[Cl])C1N=C(c2cccs2)Nc2ccc(cc2N=1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7978 |
| logD: | 5.7978 |
| logSw: | -6.1734 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | ILDHKEVZMXSCML-UHFFFAOYSA-N |