methyl 2-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
methyl 2-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G795-0716 |
| Compound Name: | methyl 2-{[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)C(c1c2ccccc2sn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1459 |
| logD: | 3.1451 |
| logSw: | -3.4923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.63 |
| InChI Key: | CQIBJDFBXLKYQJ-UHFFFAOYSA-N |