N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | J103-0324 |
| Compound Name: | N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | COCc1nc(c2ccc(cc2)NC(CN2C(C=C3CCCCC3=N2)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6704 |
| logD: | 1.6663 |
| logSw: | -2.4267 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.581 |
| InChI Key: | TYTRIXTXQBDGMF-UHFFFAOYSA-N |