methyl 3-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G795-0786 |
| Compound Name: | methyl 3-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C19 H18 N4 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)C(c1c2ccccc2sn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8398 |
| logD: | 2.838 |
| logSw: | -3.3056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.648 |
| InChI Key: | PTYLMBRLJOTDHQ-UHFFFAOYSA-N |