4-(3-nitrophenyl)-3-(prop-2-en-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine
Chemical Structure Depiction of
4-(3-nitrophenyl)-3-(prop-2-en-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine
4-(3-nitrophenyl)-3-(prop-2-en-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine
Compound characteristics
| Compound ID: | 8014-5809 |
| Compound Name: | 4-(3-nitrophenyl)-3-(prop-2-en-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C25 H24 N6 O2 S |
| Smiles: | C=CCN1C(=CSC/1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2682 |
| logD: | 5.2678 |
| logSw: | -5.6065 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.959 |
| InChI Key: | UOCGRNAWSJYYRM-QPLCGJKRSA-N |