5-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
5-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | S638-0605 |
| Compound Name: | 5-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | Cc1c(COc2ccccc2)c(C(NC2CCC3=NN(C)C(N3CC2)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.954 |
| logD: | 1.9539 |
| logSw: | -2.0369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.872 |
| InChI Key: | YYBQWJCWRFOGSV-CQSZACIVSA-N |