N-[(10Z)-3,3,4-tricyano-2-phenyloctahydro-8a,4-(epoxymethano)-1-benzopyran-10-ylidene]acetamide
Chemical Structure Depiction of
N-[(10Z)-3,3,4-tricyano-2-phenyloctahydro-8a,4-(epoxymethano)-1-benzopyran-10-ylidene]acetamide
N-[(10Z)-3,3,4-tricyano-2-phenyloctahydro-8a,4-(epoxymethano)-1-benzopyran-10-ylidene]acetamide
Compound characteristics
| Compound ID: | 8020-7835 |
| Compound Name: | N-[(10Z)-3,3,4-tricyano-2-phenyloctahydro-8a,4-(epoxymethano)-1-benzopyran-10-ylidene]acetamide |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C21 H18 N4 O3 |
| Smiles: | CC(/N=C1/C2(C#N)C3CCCCC3(OC(c3ccccc3)C2(C#N)C#N)O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4485 |
| logD: | 2.4485 |
| logSw: | -2.5662 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 88.833 |
| InChI Key: | UFXCQVZKTDBYFB-UHFFFAOYSA-N |