N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0110 |
| Compound Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 264.32 |
| Molecular Formula: | C13 H20 N4 O2 |
| Smiles: | Cc1c(CNC(C2CCCCC(N2)=O)=O)c(C)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3497 |
| logD: | 0.3497 |
| logSw: | -0.977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.544 |
| InChI Key: | LIJBSWCYEAHAKM-NSHDSACASA-N |