butan-2-yl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
butan-2-yl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1595 |
| Compound Name: | butan-2-yl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 442.39 |
| Molecular Formula: | C18 H20 Br N O3 S2 |
| Smiles: | CCC(C)OC(c1c2CCCCc2sc1NC(c1cc(cs1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2086 |
| logD: | 1.6339 |
| logSw: | -5.4517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.379 |
| InChI Key: | HDHGHGRCGMGFST-JTQLQIEISA-N |