2-(cyclopropylmethyl)-7-(1,3-oxazole-5-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-(cyclopropylmethyl)-7-(1,3-oxazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(1,3-oxazole-5-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: | S636-5168 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(1,3-oxazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(c1cnco1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3018 |
| logD: | 0.3009 |
| logSw: | -0.413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.069 |
| InChI Key: | KEHHVBLBZLCEBZ-UHFFFAOYSA-N |