Chemical ID: 5607782

c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN(c4cccc(c4)F)C(=O)C56CC7CC(C5)CC(C7)C6
Chemical ID:
5607782
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN(c4cccc(c4)F)C(=O)C56CC7CC(C5)CC(C7)C6
InChi [?]:
InChI=1/C32H31FN2O3/c33-24-7-3-8-25(16-24)34(31(38)32-17-20-13-21(18-32)15-22(14-20)19-32)11-4-12-35-29(36)26-9-1-5-23-6-2-10-27(28(23)26)30(35)37/h1-3,5-10,16,20-22H,4,11-15,17-19H2
InChi Info:
AuxInfo=1/0/N:1,5,22,17,2,4,23,21,10,6,18,16,32,35,37,25,34,30,38,33,31,36,3,24,20,9,7,8,11,14,27,29,26,19,13,12,15,28/E:(1,2)(5,6)(9,10)(13,14,15)(17,18,19)(20,21,22)(26,27)(29,30)(36,37)/rA:38nCCCCCCCCCCCONCOCCCNCCCCCCFCOCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s19;d27;s27;s29;s30;s31;s32;s29s33;s33;s35;s31s36;s29s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H31FN2O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.0631
Area:671.045
Solvation:-3.71306
Coulombic:-49.8881
Bond Count [?]
All:44
Single:33
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:510.599
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.08
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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