Chemical ID: 6005777

CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4cccc(c4)Cl
Chemical ID:
6005777
Name [?]:
3-chloro-N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isobutyl-benzamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C30H31ClFN3O2/c1-21(2)18-35(30(37)23-6-5-7-25(31)16-23)20-29(36)34(19-22-10-12-26(32)13-11-22)15-14-24-17-33-28-9-4-3-8-27(24)28/h3-13,16-17,21,33H,14-15,18-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,33,32,34,17,20,23,27,24,26,11,10,36,13,4,21,6,2,22,31,12,35,25,16,15,7,29,37,28,14,9,5,8,30/E:(1,2)(10,11)(12,13)/rA:37nCCCCNCCONCCCCNCCCCCCCCCCCCCFCOCCCCCCCl/rB:s1;s2;s2;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;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31ClFN3O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.654
Area:754.68
Solvation:-5.21303
Coulombic:-51.0934
Bond Count [?]
All:40
Single:28
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:520.037
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.39
LogP (Chemaxon):6.44

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Descriptor Annotations

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