2-methyl-7-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-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-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0753 |
| Compound Name: | 2-methyl-7-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | Cc1c(COc2ccccc2)c(C(N2CCC3=NN(C)C(N3CC2)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.5505 |
| logD: | 1.5505 |
| logSw: | -1.3696 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.382 |
| InChI Key: | OBMHURVQIRGFDC-UHFFFAOYSA-N |