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Chemical ID: 5936490
Chemical ID:
5936490
Name [?]:
N-[(1-benzylpyrrol-2-yl)methyl]-N-(1,2-dimethylpropyl)-2,4-dimethoxy-benzamide
SMILES [?]:
CC(C)C(C)N(Cc1cccn1Cc2ccccc2)C(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C26H32N2O3/c1-19(2)20(3)28(26(29)24-14-13-23(30-4)16-25(24)31-5)18-22-12-9-15-27(22)17-21-10-7-6-8-11-21/h6-16,19-20H,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,5,31,29,17,16,18,10,15,19,9,24,23,11,26,13,7,2,4,14,8,25,22,27,20,12,6,21,30,28/E:(1,2)(7,8)(10,11)/rA:31cCCCCCNCCCCCNCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s2;s4;s4;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.6341 |
Area: | 624.47 |
Solvation: | -5.97766 |
Coulombic: | -38.2425 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 420.544 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.47 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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