4-(butylamino)-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-(butylamino)-3-nitro-2H-1-benzothiopyran-2-one
4-(butylamino)-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 0570-0022 |
| Compound Name: | 4-(butylamino)-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | CCCCNC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1188 |
| logD: | 3.101 |
| logSw: | -3.6392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.078 |
| InChI Key: | UPNQLLFJPFVYHB-UHFFFAOYSA-N |