N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 5298-4551 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(/C=C/c1ccccc1[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8971 |
| logD: | 3.5875 |
| logSw: | -4.1338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.912 |
| InChI Key: | SVSUVQGQICHTAJ-UHFFFAOYSA-N |