7-(butane-1-sulfonyl)-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)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(butane-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0497 |
| Compound Name: | 7-(butane-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 274.34 |
| Molecular Formula: | C10 H18 N4 O3 S |
| Smiles: | CCCCS(N1CCC2=NNC(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.766 |
| logD: | 0.7595 |
| logSw: | -1.6701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.802 |
| InChI Key: | QIZJMAXIQHCFTN-UHFFFAOYSA-N |