4-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0176 |
| Compound Name: | 4-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2ccc(cc2)OC)Nc2ccc(cc2N=1)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.674 |
| logD: | 6.6734 |
| logSw: | -5.7111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.56 |
| InChI Key: | LOBACIOTKSBOGN-UHFFFAOYSA-N |