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Chemical ID: 5856667
Chemical ID:
5856667
Name [?]:
N-[1-[(3-ethoxy-4-methoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-methyl-benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C23H29N3O4/c1-6-30-20-13-17(9-12-19(20)29-5)14-24-26-23(28)21(15(2)3)25-22(27)18-10-7-16(4)8-11-18/h7-15,21H,6H2,1-5H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,19,20,30,11,2,26,28,7,25,29,8,5,12,18,27,6,24,9,4,17,22,15,13,21,14,23,16,10,3/E:(2,3)(7,8)(10,11)/rA:30cCCOCCCCCCOCCNNCOCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;s14;d15;s15;s17;s18;s18;s17;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.75393 |
Area: | 664.525 |
Solvation: | -6.8592 |
Coulombic: | -55.9781 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 411.494 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.77 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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