7-(5-chlorothiophene-2-sulfonyl)-2-methyl-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-(5-chlorothiophene-2-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-chlorothiophene-2-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1002 |
| Compound Name: | 7-(5-chlorothiophene-2-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 348.83 |
| Molecular Formula: | C11 H13 Cl N4 O3 S2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6385 |
| logD: | 1.6384 |
| logSw: | -2.5904 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.004 |
| InChI Key: | QDFLFSSRESVLFY-UHFFFAOYSA-N |