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Chemical ID: 6018118
Chemical ID:
6018118
Name [?]:
N-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(m-tolyl)propanamide
SMILES [?]:
Cc1cccc(c1)C(CC(=O)NC2CCCCC2)c3cn(c4c3cccc4)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C31H33FN2O/c1-22-8-7-9-24(18-22)28(19-31(35)33-26-10-3-2-4-11-26)29-21-34(30-13-6-5-12-27(29)30)20-23-14-16-25(32)17-15-23/h5-9,12-18,21,26,28H,2-4,10-11,19-20H2,1H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,25,26,4,3,5,14,18,24,27,30,34,31,33,7,9,28,20,2,29,6,32,13,23,8,19,22,10,35,12,21,11/E:(3,4)(10,11)(14,15)(16,17)/rA:35cCCCCCCCCCCONCCCCCCCCNCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s8;d19;s20;s21;s19s22;d23;s24;d25;d22s26;s21;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H33FN2O |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.7939 |
Area: | 714.053 |
Solvation: | -4.05747 |
Coulombic: | -33.5566 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 468.605 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.41 |
LogP (Chemaxon): | 7.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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