3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0154 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | CCc1c(c2cc(C)ccc2C)nc(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1853 |
| logD: | 6.1853 |
| logSw: | -5.4701 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.774 |
| InChI Key: | PBOKETKVERSPSK-UHFFFAOYSA-N |