7-ethyl-4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethyl-4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-ethyl-4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0105 |
| Compound Name: | 7-ethyl-4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C21 H19 N3 S |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(C)cc1)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.6842 |
| logD: | 5.6808 |
| logSw: | -5.5429 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | CAGDGJHMYDPDOS-UHFFFAOYSA-N |