(1-methyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
Chemical Structure Depiction of
(1-methyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
(1-methyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid
Compound characteristics
| Compound ID: | S528-0276 |
| Compound Name: | (1-methyl-4-oxo-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5(1H)-yl)acetic acid |
| Molecular Weight: | 223.23 |
| Molecular Formula: | C10 H13 N3 O3 |
| Smiles: | Cn1c2CCCN(CC(O)=O)C(c2cn1)=O |
| Stereo: | ACHIRAL |
| logP: | -1.4869 |
| logD: | -5.4671 |
| logSw: | -0.785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.043 |
| InChI Key: | SHTSDJFQXCERQI-UHFFFAOYSA-N |