2-(cyclopropylmethyl)-7-[(3-fluoro-4-hydroxyphenyl)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-(cyclopropylmethyl)-7-[(3-fluoro-4-hydroxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(3-fluoro-4-hydroxyphenyl)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: | CM4193-2598 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(3-fluoro-4-hydroxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C17 H21 F N4 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)Cc1ccc(c(c1)F)O |
| Stereo: | ACHIRAL |
| logP: | 2.1294 |
| logD: | 1.4713 |
| logSw: | -2.3019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.127 |
| InChI Key: | SMTSGYJAQWFVOY-UHFFFAOYSA-N |