2-amino-4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0896 |
| Compound Name: | 2-amino-4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 373.79 |
| Molecular Formula: | C18 H16 Cl N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[N+]([O-])=O)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.622 |
| logD: | 2.622 |
| logSw: | -3.5938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.683 |
| InChI Key: | UYMOXCHMLNMVAS-OAHLLOKOSA-N |