7-chloro-2-(4-methoxyphenyl)-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-2-(4-methoxyphenyl)-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
7-chloro-2-(4-methoxyphenyl)-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0136 |
| Compound Name: | 7-chloro-2-(4-methoxyphenyl)-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 362.82 |
| Molecular Formula: | C20 H15 Cl N4 O |
| Smiles: | COc1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccncc2)N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8739 |
| logD: | 3.8727 |
| logSw: | -4.4363 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.447 |
| InChI Key: | GWADOWGKUNCUHN-UHFFFAOYSA-N |