N-(2-amino-2-oxoethyl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(2-amino-2-oxoethyl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2-amino-2-oxoethyl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-3998 |
| Compound Name: | N-(2-amino-2-oxoethyl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 279.34 |
| Molecular Formula: | C13 H21 N5 O2 |
| Smiles: | CC(C)c1nnc2CCCCC(C(NCC(N)=O)=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2723 |
| logD: | -0.2777 |
| logSw: | -0.6712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.606 |
| InChI Key: | GXGBVKQMDWRCEH-VIFPVBQESA-N |