7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1697 |
| Compound Name: | 7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CC1=NN(CC(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5853 |
| logD: | 3.5853 |
| logSw: | -3.8121 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.746 |
| InChI Key: | IWBSCCOAMNREMC-UHFFFAOYSA-N |