3-[2-(4-bromophenyl)-2-oxoethyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
3-[2-(4-bromophenyl)-2-oxoethyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
Compound characteristics
| Compound ID: | 8640-0251 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | CCC1(C)Cc2c3C(N(CC(c4ccc(cc4)[Br])=O)N=Nc3sc2CO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5593 |
| logD: | 4.5593 |
| logSw: | -4.7111 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.894 |
| InChI Key: | AMPLZRIMAFYUJZ-IBGZPJMESA-N |