1-(3-chloro-4-methylanilino)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1918 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}isoquinoline-4-carboxamide |
| Molecular Weight: | 548.52 |
| Molecular Formula: | C30 H31 Cl2 N5 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7098 |
| logD: | 6.166 |
| logSw: | -6.2538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.154 |
| InChI Key: | NCZZIHOZWCBBKF-UHFFFAOYSA-N |