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Chemical ID: 6012665
Chemical ID:
6012665
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2c[nH]c3c2cccc3)Cc4ccccc4OC
InChi [?]:
InChI=1/C31H35N3O4/c1-23-12-14-24(15-13-23)31(36)34(18-19-37-2)22-30(35)33(21-26-8-4-7-11-29(26)38-3)17-16-25-20-32-28-10-6-5-9-27(25)28/h4-15,20,32H,16-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,38,33,27,28,34,32,26,29,35,3,7,4,6,20,19,11,12,22,30,15,2,5,21,31,25,24,36,16,8,23,18,10,17,9,13,37/E:(12,13)(14,15)/rA:38nCCCCCCCCONCCOCCCONCCCCNCCCCCCCCCCCCCOC/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;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35N3O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2107 |
Area: | 719.551 |
Solvation: | -5.77804 |
Coulombic: | -62.7556 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 513.627 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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