2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethyl-3-nitrophenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethyl-3-nitrophenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethyl-3-nitrophenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8101 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethyl-3-nitrophenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8739 |
| logD: | 3.8739 |
| logSw: | -4.4093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.382 |
| InChI Key: | YAWNTEWNNPWEMF-KRWDZBQOSA-N |