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Chemical ID: 6016516
Chemical ID:
6016516
Name [?]:
4-butyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4
InChi [?]:
InChI=1/C31H38FN3O4/c1-2-3-5-25-7-11-27(12-8-25)31(37)34(16-15-33-17-20-38-21-18-33)24-30(36)35(23-29-6-4-19-39-29)22-26-9-13-28(32)14-10-26/h4,6-14,19H,2-3,5,15-18,20-24H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,37,4,36,6,10,28,32,7,9,29,31,15,14,17,21,38,18,20,26,34,22,5,27,8,30,35,23,11,33,16,13,25,24,12,19,39/E:(7,8)(9,10)(11,12)(13,14)(17,18)(20,21)/rA:39nCCCCCCCCCCCONCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s13;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s25;s34;d35;s36;d37;s35s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H38FN3O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8229 |
Area: | 802.776 |
Solvation: | -7.24648 |
Coulombic: | -59.4186 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 535.65 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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