1-[4-(isoquinoline-1-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(isoquinoline-1-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
1-[4-(isoquinoline-1-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA52-1321 |
| Compound Name: | 1-[4-(isoquinoline-1-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | CCC(N1CCCN(CC1c1nc(C)no1)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8887 |
| logD: | 1.8887 |
| logSw: | -2.4535 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.882 |
| InChI Key: | RLMYYPZRKWDZTB-KRWDZBQOSA-N |