4-[4-(morpholin-4-yl)phenyl]-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-[4-(morpholin-4-yl)phenyl]-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-[4-(morpholin-4-yl)phenyl]-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0008 |
| Compound Name: | 4-[4-(morpholin-4-yl)phenyl]-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C25 H26 N4 O S |
| Smiles: | CC(C)c1ccc2c(c1)N=C(c1ccc(cc1)N1CCOCC1)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.4231 |
| logD: | 5.4214 |
| logSw: | -5.4586 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.854 |
| InChI Key: | JXFBFUNFUSOXHU-UHFFFAOYSA-N |