4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl N,N'-dicyclohexylcarbamimidate
Chemical Structure Depiction of
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl N,N'-dicyclohexylcarbamimidate
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl N,N'-dicyclohexylcarbamimidate
Compound characteristics
| Compound ID: | 0800-0103 |
| Compound Name: | 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl N,N'-dicyclohexylcarbamimidate |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C29 H35 N3 O4 |
| Smiles: | C1CCC(CC1)N\C(=N/C1CCCCC1)OC(CCCN1C(c2cccc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.151 |
| logD: | 5.1508 |
| logSw: | -5.8086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.203 |
| InChI Key: | GUZZHLOBAZNQQO-UHFFFAOYSA-N |