N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1648 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C24 H27 Cl N6 O2 S |
| Smiles: | CC1=NN(CC(NCCN2CCN(CC2)c2cc(ccc2C)[Cl])=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2221 |
| logD: | 2.913 |
| logSw: | -3.462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.649 |
| InChI Key: | LFMMYKYCWPWLES-UHFFFAOYSA-N |