4-(4-butoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0106 |
| Compound Name: | 4-(4-butoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C24 H25 N3 O S |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(CC)cc2N=1 |
| Stereo: | ACHIRAL |
| logP: | 6.6931 |
| logD: | 6.6925 |
| logSw: | -5.691 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.911 |
| InChI Key: | IPLLBDSPUGHSAK-UHFFFAOYSA-N |