2-amino-7,7-dimethyl-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8068 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(cs2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1504 |
| logD: | 2.1504 |
| logSw: | -2.3527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.002 |
| InChI Key: | CMUTTYSKFGUINF-ZDUSSCGKSA-N |