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Chemical ID: 6013945
Chemical ID:
6013945
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2,4-dimethoxy-N-(2-morpholinoethyl)benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccccc3)Cc4ccco4
InChi [?]:
InChI=1/C29H35N3O6/c1-35-24-10-11-26(27(19-24)36-2)29(34)31(13-12-30-14-17-37-18-15-30)22-28(33)32(21-25-9-6-16-38-25)20-23-7-4-3-5-8-23/h3-11,16,19H,12-15,17-18,20-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,30,29,31,36,28,32,35,4,5,15,14,17,21,37,18,20,8,26,33,22,27,3,34,6,7,23,11,16,13,25,24,12,2,9,19,38/E:(4,5)(7,8)(14,15)(17,18)/rA:38nCOCCCCCCOCCONCCNCCOCCCCONCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s13;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s25;s33;d34;s35;d36;s34s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H35N3O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25766 |
Area: | 763.155 |
Solvation: | -9.82121 |
Coulombic: | -66.8312 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 521.605 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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