N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2H-1,3-benzodioxole-5-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]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S638-2564 |
| 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]-N-methyl-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C20 H24 N4 O4 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.33 |
| logD: | 2.324 |
| logSw: | -2.7403 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.164 |
| InChI Key: | JSAFRBAOXSFHFE-OAHLLOKOSA-N |