3-[5-(4-chlorophenyl)-8-oxo-6-(pyridin-3-yl)-2,3,6,8-tetrahydropyrrolo[3,4-e][1,4]diazepin-7(1H)-yl]benzoic acid
Chemical Structure Depiction of
3-[5-(4-chlorophenyl)-8-oxo-6-(pyridin-3-yl)-2,3,6,8-tetrahydropyrrolo[3,4-e][1,4]diazepin-7(1H)-yl]benzoic acid
3-[5-(4-chlorophenyl)-8-oxo-6-(pyridin-3-yl)-2,3,6,8-tetrahydropyrrolo[3,4-e][1,4]diazepin-7(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 8018-1177 |
| Compound Name: | 3-[5-(4-chlorophenyl)-8-oxo-6-(pyridin-3-yl)-2,3,6,8-tetrahydropyrrolo[3,4-e][1,4]diazepin-7(1H)-yl]benzoic acid |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C25 H19 Cl N4 O3 |
| Smiles: | C1CN=C(C2C(c3cccnc3)N(C(C=2N1)=O)c1cccc(c1)C(O)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6463 |
| logD: | 0.9611 |
| logSw: | -4.2078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.411 |
| InChI Key: | OSMTZMRRCUCPOX-HSZRJFAPSA-N |