3-(2-amino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-amino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
3-(2-amino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0833-0555 |
| Compound Name: | 3-(2-amino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 289.27 |
| Molecular Formula: | C12 H7 N3 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0159 |
| logD: | 2.0159 |
| logSw: | -2.8627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.074 |
| InChI Key: | PZEBBRJQMCRUQV-UHFFFAOYSA-N |