5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-1422 |
| Compound Name: | 5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1ccc(cc1C(O)=O)N1CCCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.891 |
| logD: | 1.0062 |
| logSw: | -4.3334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.004 |
| InChI Key: | XIBHVPTVPNQLFO-UHFFFAOYSA-N |