4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0143 |
| Compound Name: | 4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(c(c1)OCC)OCC)N=C(c1ccc(cc1)OC)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.5619 |
| logD: | 5.5451 |
| logSw: | -5.5067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.439 |
| InChI Key: | YBDFYOSCLZUCLN-UHFFFAOYSA-N |