3-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
3-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3168 |
| Compound Name: | 3-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | C1CCc2c(C1)nc(NC(/C=C/c1ccccc1[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.236 |
| logD: | 4.1199 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.665 |
| InChI Key: | DMBUKTNVYGLMKB-UHFFFAOYSA-N |