CR 613
(4-nitrophenyl)methyl N-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate
| Molecular Formula | C27H38N4O6 |
|---|---|
| Molecular Weight | 514.6 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 117.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 514.2791 |
| Heavy Atoms | 37 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 57228-55-4 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UVALSMROOIDTHM-VWLOTQADSA-N |
📖 Product Overview
CR 613 (CAS: 57228-55-4) is a chemical compound with molecular formula C27H38N4O6 and molecular weight 514.6 g/mol. Its IUPAC systematic name is (4-nitrophenyl)methyl N-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate.
UVALSMROOIDTHM-VWLOTQADSA-N.
SMILES: CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].
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