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Chemical ID: 5976261
Chemical ID:
5976261
Name [?]:
5-(3,5-dimethoxybenzoyl)amino-2-dimethylamino-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C21H27N3O4/c1-6-9-22-21(26)18-12-15(7-8-19(18)24(2)3)23-20(25)14-10-16(27-4)13-17(11-14)28-5/h7-8,10-13H,6,9H2,1-5H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,15,26,28,2,10,11,3,24,20,8,22,19,9,23,21,7,12,17,5,4,16,13,18,6,25,27/E:(2,3)(4,5)(10,11)(16,17)(27,28)/rA:28nCCCNCOCCCCCCNCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40266 |
Area: | 633.733 |
Solvation: | -6.44067 |
Coulombic: | -61.3798 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 385.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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