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-1-phenylmethanesulfonamide
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-1-phenylmethanesulfonamide
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-1-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | S638-2803 |
| 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-1-phenylmethanesulfonamide |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4242 |
| logD: | 2.4206 |
| logSw: | -2.424 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.395 |
| InChI Key: | GARMFLSBPAWPGQ-KRWDZBQOSA-N |