Chemical ID: 6005875

CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4ccccc4F
Chemical ID:
6005875
Name [?]:
N-butyl-2-fluoro-N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]benzamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C30H31F2N3O2/c1-2-3-17-35(30(37)26-9-4-6-10-27(26)32)21-29(36)34(20-22-12-14-24(31)15-13-22)18-16-23-19-33-28-11-7-5-8-25(23)28/h4-15,19,33H,2-3,16-18,20-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,33,18,34,19,17,32,35,20,23,27,24,26,11,4,10,13,21,6,22,12,25,16,31,36,15,7,29,28,37,14,9,5,8,30/E:(12,13)(14,15)/rA:37nCCCCNCCONCCCCNCCCCCCCCCCCCCFCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s25;s5;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31F2N3O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:11.8191
Area:746.15
Solvation:-6.8346
Coulombic:-53.4299
Bond Count [?]
All:40
Single:28
Double:12
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:503.583
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.2
LogP (Chemaxon):6.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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