2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
Chemical Structure Depiction of
2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F686-0466 |
| Compound Name: | 2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1C(O)=O)N1CCCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1882 |
| logD: | 3.1882 |
| logSw: | -3.3178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.858 |
| InChI Key: | FVNITBCREDPTCX-UHFFFAOYSA-N |