7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethylthieno[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}-2-ethylthieno[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}-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-3452 |
| Compound Name: | 7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C23 H24 Cl N5 O2 S |
| Smiles: | CCc1cc2c(cc3C(N(CC(N4CCN(CC4)c4cc(ccc4C)[Cl])=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8558 |
| logD: | 3.8558 |
| logSw: | -4.1979 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.054 |
| InChI Key: | XYXLEBVDHZEQBP-UHFFFAOYSA-N |