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Chemical ID: 5939400
Chemical ID:
5939400
Name [?]:
N-[(1-benzylpyrrol-2-yl)methyl]-2,4-dimethoxy-N-propyl-benzamide
SMILES [?]:
CCCN(Cc1cccn1Cc2ccccc2)C(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C24H28N2O3/c1-4-14-26(24(27)22-13-12-21(28-2)16-23(22)29-3)18-20-11-8-15-25(20)17-19-9-6-5-7-10-19/h5-13,15-16H,4,14,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,2,15,14,16,8,13,17,7,22,21,3,9,24,11,5,12,6,23,20,25,18,10,4,19,28,26/E:(6,7)(9,10)/rA:29nCCCNCCCCCNCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;s11;s12;d13;s14;d15;d12s16;s4;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38272 |
Area: | 590.77 |
Solvation: | -5.38653 |
Coulombic: | -38.8505 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 392.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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