6-[2-(4-bromophenyl)-2-oxoethyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
Chemical Structure Depiction of
6-[2-(4-bromophenyl)-2-oxoethyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
6-[2-(4-bromophenyl)-2-oxoethyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
Compound characteristics
| Compound ID: | 8019-5833 |
| Compound Name: | 6-[2-(4-bromophenyl)-2-oxoethyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C20 H17 Br N4 O2 S |
| Smiles: | CC1CCc2c3c4ncnn4C(N(CC(c4ccc(cc4)[Br])=O)c3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.74 |
| logD: | 4.74 |
| logSw: | -4.6842 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.927 |
| InChI Key: | YIKOWQIWYFWTQJ-LLVKDONJSA-N |