2-(4-tert-butylphenyl)-7-methoxy-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-7-methoxy-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
2-(4-tert-butylphenyl)-7-methoxy-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0231 |
| Compound Name: | 2-(4-tert-butylphenyl)-7-methoxy-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccc(cc2)[N+]([O-])=O)N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.592 |
| logD: | 6.5892 |
| logSw: | -5.7802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.4 |
| InChI Key: | ZCSSLGDZJDEFHA-UHFFFAOYSA-N |