3-[(4-bromophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[(4-bromophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[(4-bromophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5841 |
| Compound Name: | 3-[(4-bromophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 390.3 |
| Molecular Formula: | C17 H16 Br N3 O S |
| Smiles: | CC1CCc2c3C(N(Cc4ccc(cc4)[Br])N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2239 |
| logD: | 5.2239 |
| logSw: | -5.207 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | LHXJGKUMHFVZQU-SNVBAGLBSA-N |