3-[2-{[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]amino}(oxo)acetamido]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[2-{[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]amino}(oxo)acetamido]-4-methylbenzoic acid
3-[2-{[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]amino}(oxo)acetamido]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | IB08-2915 |
| Compound Name: | 3-[2-{[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]amino}(oxo)acetamido]-4-methylbenzoic acid |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H27 N3 O5 |
| Smiles: | Cc1ccc(cc1NC(C(NCC(c1ccc(cc1)OC)N1CCCC1)=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.54 |
| logD: | 2.54 |
| logSw: | -3.3 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 156.88 |
| InChI Key: | ZCOCTWZTJKOCNB-FQEVSTJZSA-N |