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Chemical ID: 6013920
Chemical ID:
6013920
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2-methyl-N-(2-morpholinoethyl)propanamide
SMILES [?]:
CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C24H33N3O4/c1-20(2)24(29)26(11-10-25-12-15-30-16-13-25)19-23(28)27(18-22-9-6-14-31-22)17-21-7-4-3-5-8-21/h3-9,14,20H,10-13,15-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,23,22,24,29,21,25,28,8,7,10,14,30,11,13,19,26,15,2,20,27,16,4,9,6,18,17,5,12,31/E:(1,2)(4,5)(7,8)(12,13)(15,16)/rA:31nCCCCONCCNCCOCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5561 |
Area: | 658.949 |
Solvation: | -5.91764 |
Coulombic: | -53.3296 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 427.537 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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