4-(tert-butylamino)-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-(tert-butylamino)-3-nitro-2H-1-benzothiopyran-2-one
4-(tert-butylamino)-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 0570-0023 |
| Compound Name: | 4-(tert-butylamino)-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | CC(C)(C)NC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1167 |
| logD: | 3.1058 |
| logSw: | -3.7063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.06 |
| InChI Key: | JQPWOBXIQLKLFG-UHFFFAOYSA-N |