6-nitro-3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-1-benzopyran-2-one
6-nitro-3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2300-3372 |
| Compound Name: | 6-nitro-3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C24 H14 N2 O4 S2 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc(cs1)c1ccc(cc1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8143 |
| logD: | 6.8143 |
| logSw: | -6.3182 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.732 |
| InChI Key: | KTHZSOMEAANSQF-UHFFFAOYSA-N |