N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-methylthiophene-2-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]-3-methylthiophene-2-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S638-0804 |
| 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]-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | Cc1ccsc1C(NC1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7333 |
| logD: | 2.7273 |
| logSw: | -2.9593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.004 |
| InChI Key: | QETMHPKJFSRSBU-ZDUSSCGKSA-N |