(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethylquinolin-1(2H)-yl)methanone
Chemical Structure Depiction of
(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethylquinolin-1(2H)-yl)methanone
(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethylquinolin-1(2H)-yl)methanone
Compound characteristics
| Compound ID: | 3807-5037 |
| Compound Name: | (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethylquinolin-1(2H)-yl)methanone |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | CC1=CC(C)(C)N(C(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.2123 |
| logD: | 6.2123 |
| logSw: | -6.2292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.452 |
| InChI Key: | PDBJFHMDKVEYDP-UHFFFAOYSA-N |