Chemical ID: 6018108

CCCNC(=O)CC(c1cc(cc(c1)OC)OC)c2cn(c3c2cccc3)Cc4ccc(cc4)F
Chemical ID:
6018108
Name [?]:
3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-propanamide
SMILES [?]:
CCCNC(=O)CC(c1cc(cc(c1)OC)OC)c2cn(c3c2cccc3)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C29H31FN2O3/c1-4-13-31-29(33)17-26(21-14-23(34-2)16-24(15-21)35-3)27-19-32(28-8-6-5-7-25(27)28)18-20-9-11-22(30)12-10-20/h5-12,14-16,19,26H,4,13,17-18H2,1-3H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,16,18,2,25,26,24,27,30,34,31,33,3,14,10,12,7,28,20,29,9,32,13,11,23,8,19,22,5,35,4,21,6,15,17/E:(2,3)(9,10)(11,12)(14,15)(23,24)(34,35)/rA:35cCCCNCOCCCCCCCCOCOCCCNCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s11;s17;s8;d19;s20;s21;s19s22;d23;s24;d25;d22s26;s21;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31FN2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.7433
Area:734.589
Solvation:-6.62147
Coulombic:-45.8569
Bond Count [?]
All:38
Single:27
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.567
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.75
LogP (Chemaxon):5.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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