4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8012-5667 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | Cc1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(C)[nH]c1C#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9337 |
| logD: | 1.9337 |
| logSw: | -2.1046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.135 |
| InChI Key: | ZCVNKGYAQHYLMU-INIZCTEOSA-N |