N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3305 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C17 H17 N3 O5 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.939 |
| logD: | 0.795 |
| logSw: | -3.6259 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.756 |
| InChI Key: | BNUPBCXRWVQOER-UHFFFAOYSA-N |