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Chemical ID: 6018108
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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