2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate
Chemical Structure Depiction of
2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate
2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1063 |
| Compound Name: | 2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COc1cccc(c1)C1C2=C(CCCC2=O)SC(=C1C(=O)OCC[N+]([O-])=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3153 |
| logD: | 2.3082 |
| logSw: | -2.7908 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.621 |
| InChI Key: | KGGHLRLXBSKQQI-HNNXBMFYSA-N |