2-(cyclopropylmethyl)-7-(1H-indazole-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-(cyclopropylmethyl)-7-(1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(1H-indazole-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: | S636-1577 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C18 H20 N6 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(c1c2ccccc2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8131 |
| logD: | 1.8122 |
| logSw: | -2.2341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.742 |
| InChI Key: | ITABYRUJONJLAL-UHFFFAOYSA-N |