methyl 3-{[3-(4-phenylpiperazine-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(4-phenylpiperazine-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
methyl 3-{[3-(4-phenylpiperazine-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F836-0803 |
| Compound Name: | methyl 3-{[3-(4-phenylpiperazine-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C23 H23 N3 O5 S2 |
| Smiles: | COC(c1cccc(c1)NC(c1c(ccs1)S(N1CCN(CC1)c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9259 |
| logD: | 3.9252 |
| logSw: | -4.0536 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.493 |
| InChI Key: | XAKZIXRGXSOUPM-UHFFFAOYSA-N |