2-methyl-7-(phenylmethanesulfonyl)-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-methyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0997 |
| Compound Name: | 2-methyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C14 H18 N4 O3 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8561 |
| logD: | 0.8561 |
| logSw: | -1.6909 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.88 |
| InChI Key: | JXZMSJMTZMOMQU-UHFFFAOYSA-N |