N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-methylfuran-3-carboxamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-methylfuran-3-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-methylfuran-3-carboxamide
Compound characteristics
| Compound ID: | S638-4597 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-methylfuran-3-carboxamide |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H22 N4 O3 |
| Smiles: | Cc1c(cco1)C(NC1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0846 |
| logD: | 2.0786 |
| logSw: | -2.8393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.218 |
| InChI Key: | JDHDGROMBOURAI-CYBMUJFWSA-N |