2-[(4-ethylbenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
Chemical Structure Depiction of
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F686-0924 |
| Compound Name: | 2-[(4-ethylbenzene-1-sulfonyl)amino]-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3894 |
| logD: | 0.5045 |
| logSw: | -4.0217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.004 |
| InChI Key: | XEKCSSQOIGIBEC-UHFFFAOYSA-N |