2-{[(2-bromobenzoyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(2-bromobenzoyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[(2-bromobenzoyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8012-5009 |
| Compound Name: | 2-{[(2-bromobenzoyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C18 H18 Br N3 O2 S2 |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(NC(c3ccccc3[Br])=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1846 |
| logD: | 2.4259 |
| logSw: | -3.8712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.014 |
| InChI Key: | KZRXPYXEWABASO-SECBINFHSA-N |