3-[(ethanesulfonyl)amino]-4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0695 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.58 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(Nc1cccc(C)c1)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6315 |
| logD: | 1.871 |
| logSw: | -3.7695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.338 |
| InChI Key: | IWSVDVMSDKJSML-UHFFFAOYSA-N |