2-ethyl-7-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-ethyl-7-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-ethyl-7-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0370 |
| Compound Name: | 2-ethyl-7-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(N1CCN(CC1)S(c1cccs1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1465 |
| logD: | 1.1464 |
| logSw: | -2.2488 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.698 |
| InChI Key: | HHOSOAROEGANQA-AWEZNQCLSA-N |