N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)-N-methylpropanamide
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-(3-methoxyphenyl)-N-methylpropanamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)-N-methylpropanamide
Compound characteristics
| Compound ID: | S638-2621 |
| 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-(3-methoxyphenyl)-N-methylpropanamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)C(CCc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0119 |
| logD: | 3.0059 |
| logSw: | -3.1582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.065 |
| InChI Key: | LMEPGOGQQOHZOY-GOSISDBHSA-N |