Chemical ID: 6014982

CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccc(o3)C
Chemical ID:
6014982
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-pentyl-N-propyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccc(o3)C
InChi [?]:
InChI=1/C30H37FN2O3/c1-4-6-7-8-24-10-14-26(15-11-24)30(35)32(19-5-2)22-29(34)33(21-28-18-9-23(3)36-28)20-25-12-16-27(31)17-13-25/h9-18H,4-8,19-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,36,2,16,3,4,5,33,7,11,24,28,8,10,25,27,32,15,22,30,18,34,6,23,9,26,31,19,12,29,14,21,20,13,35/E:(10,11)(12,13)(14,15)(16,17)/rA:36nCCCCCCCCCCCCONCCCCCONCCCCCCCFCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H37FN2O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.5255
Area:736.882
Solvation:-4.89652
Coulombic:-47.5141
Bond Count [?]
All:38
Single:28
Double:10
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:492.625
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.79
LogP (Chemaxon):5.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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