2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4477-1321 |
| Compound Name: | 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C21 H17 Cl N2 O4 S |
| Smiles: | CC1=CC(C)(C)Nc2ccc(cc12)OC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3101 |
| logD: | 6.3101 |
| logSw: | -6.4051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.943 |
| InChI Key: | WRNYAVHIBBYADB-UHFFFAOYSA-N |