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Chemical ID: 6012894
Chemical ID:
6012894
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(CCOC)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C31H35N3O4/c1-23-8-10-24(11-9-23)21-33(17-16-26-20-32-29-7-5-4-6-28(26)29)30(35)22-34(18-19-37-2)31(36)25-12-14-27(38-3)15-13-25/h4-15,20,32H,16-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,38,18,19,17,20,3,7,4,6,32,36,33,35,11,10,25,26,13,8,23,2,5,31,12,34,16,15,21,29,14,9,24,22,30,27,37/E:(8,9)(10,11)(12,13)(14,15)/rA:38nCCCCCCCCNCCCCNCCCCCCCOCNCCOCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;d21;s21;s23;s24;s25;s26;s27;s24;d29;s29;s31;d32;s33;d34;d31s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35N3O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4434 |
Area: | 763.521 |
Solvation: | -7.64463 |
Coulombic: | -59.9619 |
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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