Chemical ID: 6012119

CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)N(C)C)C(=O)c4ccccc4F
Chemical ID:
6012119
Name [?]:
N-[[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-2-fluoro-N-isobutyl-benzamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)N(C)C)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C32H37FN4O2/c1-23(2)20-37(32(39)28-10-5-7-11-29(28)33)22-31(38)36(21-24-13-15-26(16-14-24)35(3)4)18-17-25-19-34-30-12-8-6-9-27(25)30/h5-16,19,23,34H,17-18,20-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,30,35,18,36,19,17,34,37,20,23,27,24,26,11,10,13,4,21,6,2,22,12,25,16,33,38,15,7,31,39,14,28,9,5,8,32/E:(1,2)(3,4)(13,14)(15,16)/rA:39nCCCCNCCONCCCCNCCCCCCCCCCCCCNCCCOCCCCCCF/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;s28;s28;s5;d31;s31;s33;d34;s35;d36;d33s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H37FN4O2
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:12.3702
Area:741.586
Solvation:-6.16944
Coulombic:-55.9645
Bond Count [?]
All:42
Single:30
Double:12
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:528.66
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.98
LogP (Chemaxon):6.18

Name Annotations

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Descriptor Annotations

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