4-{[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]methyl}benzoic acid
4-{[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | J103-0013 |
| Compound Name: | 4-{[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C18 H19 N3 O4 |
| Smiles: | C1CCC2C(C1)=CC(N(CC(NCc1ccc(cc1)C(O)=O)=O)N=2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5577 |
| logD: | -1.4138 |
| logSw: | -2.2439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.113 |
| InChI Key: | SXEVNNFKQPTTSR-UHFFFAOYSA-N |