4-[(2-chloroethyl)amino]-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)-1,2,5-oxadiazole-3-carbohydrazide
Chemical Structure Depiction of
4-[(2-chloroethyl)amino]-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)-1,2,5-oxadiazole-3-carbohydrazide
4-[(2-chloroethyl)amino]-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)-1,2,5-oxadiazole-3-carbohydrazide
Compound characteristics
| Compound ID: | K089-0153 |
| Compound Name: | 4-[(2-chloroethyl)amino]-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)-1,2,5-oxadiazole-3-carbohydrazide |
| Molecular Weight: | 543.02 |
| Molecular Formula: | C26 H31 Cl N6 O5 |
| Smiles: | CC1c2cc(c(cc2CCN1Cc1cc(/C=N/NC(c2c(NCC[Cl])non2)=O)ccc1OC)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8496 |
| logD: | 3.0602 |
| logSw: | -4.0797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.557 |
| InChI Key: | KQPUJBUXIFAIET-INIZCTEOSA-N |