2-benzyl-7-(2,3-dihydro-1H-indene-5-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-(2,3-dihydro-1H-indene-5-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(2,3-dihydro-1H-indene-5-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: | S636-5985 |
| Compound Name: | 2-benzyl-7-(2,3-dihydro-1H-indene-5-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7717 |
| logD: | 3.7717 |
| logSw: | -3.9347 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.321 |
| InChI Key: | DURNWENPHVEHLF-UHFFFAOYSA-N |