2-chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
2-chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3287 |
| Compound Name: | 2-chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C16 H14 Cl N3 O4 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9163 |
| logD: | 1.497 |
| logSw: | -4.5574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.427 |
| InChI Key: | GGCQHNACLBKHEE-UHFFFAOYSA-N |