6-hydroxy-4-(isoquinoline-1-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
Chemical Structure Depiction of
6-hydroxy-4-(isoquinoline-1-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
6-hydroxy-4-(isoquinoline-1-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0453 |
| Compound Name: | 6-hydroxy-4-(isoquinoline-1-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | C(CN1CC(CN(CC1=O)C(c1c2ccccc2ccn1)=O)O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.757 |
| logD: | 1.757 |
| logSw: | -2.0815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | XPFCUVVFFBNVFH-LJQANCHMSA-N |