N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-ethoxy-N-methylbenzene-1-sulfonamide
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]-4-ethoxy-N-methylbenzene-1-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-ethoxy-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4293 |
| 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]-4-ethoxy-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1454 |
| logD: | 3.1418 |
| logSw: | -3.3361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.625 |
| InChI Key: | KKDWBSCBFNPLHW-INIZCTEOSA-N |