4-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzamide
Chemical Structure Depiction of
4-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzamide
4-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzamide
Compound characteristics
| Compound ID: | 6212-0010 |
| Compound Name: | 4-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C23 H20 Cl N3 O3 |
| Smiles: | COc1cc2CCN3C(=C(CC\C3=N/C(c3ccc(cc3)[Cl])=O)C#N)c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9018 |
| logD: | 2.9775 |
| logSw: | -4.4606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.87 |
| InChI Key: | FJNIDXRQNOEFNU-UHFFFAOYSA-N |