Chemical ID: 6016516

CCCCc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4
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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