2-(2-methoxyethyl)-7-[(4-methyl-1,3-thiazol-5-yl)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
2-(2-methoxyethyl)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-[(4-methyl-1,3-thiazol-5-yl)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: | S636-1311 |
| Compound Name: | 2-(2-methoxyethyl)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C14 H21 N5 O2 S |
| Smiles: | Cc1c(CN2CCC3=NN(CCOC)C(N3CC2)=O)scn1 |
| Stereo: | ACHIRAL |
| logP: | 0.7648 |
| logD: | -0.3393 |
| logSw: | -1.402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.854 |
| InChI Key: | ZDXZXIVVHAESCD-UHFFFAOYSA-N |