7-(butane-1-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(butane-1-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(butane-1-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1493 |
| Compound Name: | 7-(butane-1-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C13 H24 N4 O4 S |
| Smiles: | CCCCS(N1CCC2=NN(CCOC)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7398 |
| logD: | 0.7397 |
| logSw: | -1.3797 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.793 |
| InChI Key: | FZQOKQCFISFITQ-UHFFFAOYSA-N |