methyl 3-({4-[(3-bromophenyl)methyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(3-bromophenyl)methyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({4-[(3-bromophenyl)methyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y206-0825 |
| Compound Name: | methyl 3-({4-[(3-bromophenyl)methyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 438.34 |
| Molecular Formula: | C18 H20 Br N3 O3 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)Cc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.304 |
| logD: | 3.0186 |
| logSw: | -3.5581 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.742 |
| InChI Key: | LQCQOJFRBLNHMV-UHFFFAOYSA-N |