7-ethoxy-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethoxy-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-ethoxy-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0236 |
| Compound Name: | 7-ethoxy-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(C)o1)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.7049 |
| logD: | 4.7048 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.709 |
| InChI Key: | WDSGCOXQTZDKFI-UHFFFAOYSA-N |