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Chemical ID: 5868605
Chemical ID:
5868605
Name [?]:
4-methoxy-N-[2-methyl-1-[(2-propoxyphenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CCCOc1ccccc1C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C23H29N3O4/c1-5-14-30-20-9-7-6-8-18(20)15-24-26-23(28)21(16(2)3)25-22(27)17-10-12-19(29-4)13-11-17/h6-13,15-16,21H,5,14H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,18,19,30,2,8,7,9,6,24,28,25,27,3,11,17,23,10,26,5,16,21,14,12,20,13,22,15,29,4/E:(2,3)(10,11)(12,13)/rA:30cCCCOCCCCCCCNNCOCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s17;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6898 |
Area: | 658.347 |
Solvation: | -5.76889 |
Coulombic: | -57.494 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 411.494 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.96 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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