N-[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
N-[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V004-7789 |
| Compound Name: | N-[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C29 H31 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(CN(C3CCCc4ccccc34)C(CO2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5211 |
| logD: | 6.5211 |
| logSw: | -5.5829 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.461 |
| InChI Key: | JELIDQCWGFOYIT-SANMLTNESA-N |