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Chemical ID: 6014235
Chemical ID:
6014235
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-(2-morpholinoethyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCOCC3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C28H38FN3O4/c1-22-7-12-26(36-22)20-32(19-23-8-10-25(29)11-9-23)27(33)21-31(14-13-30-15-17-35-18-16-30)28(34)24-5-3-2-4-6-24/h7-12,24H,2-6,13-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,34,33,35,32,36,3,11,15,12,14,4,22,21,24,28,25,27,9,7,19,2,10,31,13,5,17,29,16,23,20,8,18,30,26,6/E:(3,4)(5,6)(8,9)(10,11)(15,16)(17,18)/rA:36nCCCCCOCNCCCCCCCFCOCNCCNCCOCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s20;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H38FN3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8789 |
Area: | 729.411 |
Solvation: | -7.35641 |
Coulombic: | -55.8496 |
Bond Count [?]
All: | 39 |
Single: | 32 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 499.618 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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