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]-4-(thiophen-2-yl)-1,3-thiazol-2(3H)-imine
Chemical Structure Depiction of
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]-4-(thiophen-2-yl)-1,3-thiazol-2(3H)-imine
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]-4-(thiophen-2-yl)-1,3-thiazol-2(3H)-imine
Compound characteristics
| Compound ID: | 8017-8877 |
| Compound Name: | 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]-4-(thiophen-2-yl)-1,3-thiazol-2(3H)-imine |
| Molecular Weight: | 433.6 |
| Molecular Formula: | C23 H23 N5 S2 |
| Smiles: | C=CCN1C(=CSC/1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 5.185 |
| logD: | 5.1847 |
| logSw: | -5.2959 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.596 |
| InChI Key: | XXICRRJCBYHUCC-UHFFFAOYSA-N |