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Chemical ID: 6012706
Chemical ID:
6012706
Name [?]:
N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(2-methoxyethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2c[nH]c3c2cccc3)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C30H32FN3O3/c1-22-7-11-24(12-8-22)30(36)34(17-18-37-2)21-29(35)33(20-23-9-13-26(31)14-10-23)16-15-25-19-32-28-6-4-3-5-27(25)28/h3-14,19,32H,15-18,20-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,27,28,26,29,3,7,32,36,4,6,33,35,20,19,11,12,22,30,15,2,31,5,21,34,25,24,16,8,37,23,18,10,17,9,13/E:(7,8)(9,10)(11,12)(13,14)/rA:37nCCCCCCCCONCCOCCCONCCCCNCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s18;s30;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H32FN3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3722 |
Area: | 725.913 |
Solvation: | -5.77564 |
Coulombic: | -58.9282 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 501.592 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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