4,5-dichloro-2-{[2-methyl-1-(pyrrolidin-1-yl)propan-2-yl]carbamoyl}benzoic acid
Chemical Structure Depiction of
4,5-dichloro-2-{[2-methyl-1-(pyrrolidin-1-yl)propan-2-yl]carbamoyl}benzoic acid
4,5-dichloro-2-{[2-methyl-1-(pyrrolidin-1-yl)propan-2-yl]carbamoyl}benzoic acid
Compound characteristics
| Compound ID: | 8017-2514 |
| Compound Name: | 4,5-dichloro-2-{[2-methyl-1-(pyrrolidin-1-yl)propan-2-yl]carbamoyl}benzoic acid |
| Molecular Weight: | 359.25 |
| Molecular Formula: | C16 H20 Cl2 N2 O3 |
| Smiles: | CC(C)(CN1CCCC1)NC(c1cc(c(cc1C(O)=O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7202 |
| logD: | 3.7202 |
| logSw: | -3.7113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.721 |
| InChI Key: | RLSRJICEWRAHIJ-UHFFFAOYSA-N |