4-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0182 |
| Compound Name: | 4-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C26 H27 N3 O2 |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2ccc(cc2)OC)Nc2ccc(C)cc2N=1 |
| Stereo: | ACHIRAL |
| logP: | 6.4306 |
| logD: | 6.4266 |
| logSw: | -5.654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.437 |
| InChI Key: | IYZDURWWWYZDGO-UHFFFAOYSA-N |