4-(dibutylamino)-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-(dibutylamino)-3-nitro-2H-1-benzothiopyran-2-one
4-(dibutylamino)-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 8016-8682 |
| Compound Name: | 4-(dibutylamino)-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CCCCN(CCCC)C1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1607 |
| logD: | 5.1607 |
| logSw: | -4.9736 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.693 |
| InChI Key: | FSKWGMWMZOWJPK-UHFFFAOYSA-N |