2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0506 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | C1CCc2cc(ccc2C1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4859 |
| logD: | 1.3702 |
| logSw: | -3.7991 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.65 |
| InChI Key: | JJJFUAVZFWOFSA-UHFFFAOYSA-N |