2-benzyl-7-(3-methoxybenzene-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
2-benzyl-7-(3-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(3-methoxybenzene-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: | S636-5980 |
Compound Name: | 2-benzyl-7-(3-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
Molecular Weight: | 414.48 |
Molecular Formula: | C20 H22 N4 O4 S |
Smiles: | COc1cccc(c1)S(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8116 |
logD: | 2.8116 |
logSw: | -3.4402 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 72.578 |
InChI Key: | BBXJMJVUQSNNOQ-UHFFFAOYSA-N |