7-methyl-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methyl-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-methyl-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0174 |
| Compound Name: | 7-methyl-4-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C18 H15 N3 O S |
| Smiles: | Cc1ccc2c(c1)N=C(c1ccc(C)o1)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.4615 |
| logD: | 4.461 |
| logSw: | -4.3098 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.586 |
| InChI Key: | NFADUMQJIRGWHY-UHFFFAOYSA-N |