4-[(2-methylbutan-2-yl)amino]-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-[(2-methylbutan-2-yl)amino]-3-nitro-2H-1-benzothiopyran-2-one
4-[(2-methylbutan-2-yl)amino]-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 8016-8681 |
| Compound Name: | 4-[(2-methylbutan-2-yl)amino]-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 292.35 |
| Molecular Formula: | C14 H16 N2 O3 S |
| Smiles: | CCC(C)(C)NC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2855 |
| logSw: | -3.7465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.528 |
| InChI Key: | SSCDJGWGSIKICV-UHFFFAOYSA-N |