7-methoxy-2-(4-methoxyphenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methoxy-2-(4-methoxyphenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-methoxy-2-(4-methoxyphenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0247 |
| Compound Name: | 7-methoxy-2-(4-methoxyphenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1Nc2ccc(cc2N=C(c2cccs2)N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6912 |
| logD: | 4.6911 |
| logSw: | -4.4385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.581 |
| InChI Key: | CNXMHRRNPKTGPG-UHFFFAOYSA-N |