3-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzene-1-sulfonamide
3-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6212-0023 |
| Compound Name: | 3-chloro-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)benzene-1-sulfonamide |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C22 H20 Cl N3 O4 S |
| Smiles: | COc1cc2CCN3C(=C(CC\C3=N/S(c3cccc(c3)[Cl])(=O)=O)C#N)c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9947 |
| logD: | 3.9947 |
| logSw: | -4.4692 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.171 |
| InChI Key: | IDCHNWYLAKJAAZ-UHFFFAOYSA-N |