N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[3-(morpholin-4-yl)propyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[3-(morpholin-4-yl)propyl]adamantane-1-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[3-(morpholin-4-yl)propyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V009-1286 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[3-(morpholin-4-yl)propyl]adamantane-1-carboxamide |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C33 H43 N3 O6 |
| Smiles: | C(CN1CCOCC1)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1ccco1)=O)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5169 |
| logD: | 4.334 |
| logSw: | -4.3132 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.629 |
| InChI Key: | LWJYJSRWSHISDX-UHFFFAOYSA-N |