2-[(4-fluorobenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
Chemical Structure Depiction of
2-[(4-fluorobenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
2-[(4-fluorobenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F686-0073 |
| Compound Name: | 2-[(4-fluorobenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C22 H22 F N5 O4 S |
| Smiles: | C1CN(CCN(C1)c1ncccn1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4878 |
| logD: | -0.397 |
| logSw: | -3.8602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.004 |
| InChI Key: | BRAUAWMMADDGAN-UHFFFAOYSA-N |