4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | 8012-7455 |
| Compound Name: | 4-(4-fluorophenyl)-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: | 445.56 |
| Molecular Formula: | C25 H24 F N5 S |
| Smiles: | C=CCN1C(=CSC\1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.3519 |
| logD: | 5.3515 |
| logSw: | -5.6734 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.577 |
| InChI Key: | KUYPYENQWNZOFJ-UHFFFAOYSA-N |