(1-benzyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
Chemical Structure Depiction of
(1-benzyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
(1-benzyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
Compound characteristics
| Compound ID: | S528-0633 |
| Compound Name: | (1-benzyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid |
| Molecular Weight: | 299.33 |
| Molecular Formula: | C16 H17 N3 O3 |
| Smiles: | C1Cc2c(cnn2Cc2ccccc2)C(N(C1)CC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1345 |
| logD: | -3.8457 |
| logSw: | -1.8846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.485 |
| InChI Key: | QFKNXKHYFQHCFU-UHFFFAOYSA-N |