N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
Chemical Structure Depiction of
N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
Compound characteristics
| Compound ID: | S638-2098 |
| Compound Name: | N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C14 H18 N4 O2 S |
| Smiles: | CN(C1CCC2=NN(C)C(N2CC1)=O)C(c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3674 |
| logD: | 1.3673 |
| logSw: | -1.7998 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.495 |
| InChI Key: | HJHSUBUPLHSESQ-NSHDSACASA-N |