Chemical ID: 6913812

CCC(=O)NCC(Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)NC(=CC(=O)c4ccc(cc4)C(F)(F)F)C
Chemical ID:
6913812
Name [?]:
N-[2-[1-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]-prop-1-enyl]amino-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-propyl]propanamide
SMILES [?]:
CCC(=O)NCC(Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)NC(=CC(=O)c4ccc(cc4)C(F)(F)F)C
InChi [?]:
InChI=1/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)
InChi Info:
AuxInfo=1/1/N:1,45,29,2,26,25,27,24,28,10,14,36,40,37,39,11,13,17,16,32,8,6,31,19,9,35,23,38,7,12,18,33,3,21,41,42,43,44,5,30,22,34,4,15,20/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(36,37,38)/rA:45cCCCONCCCCCCCCCOCCCCOCNCCCCCCCNCCCOCCCCCCCFFFC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;s20;s18d21;s21;s23;d24;s25;d26;d23s27;s19;s7;s30;w31;s32;d33;s33;s35;d36;s37;d38;d35s39;s38;s41;s41;s41;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H36F3N3O4
All Atoms:81
Heavy Atoms:45
Chiral Atoms:1
ZAP Information [?]
Total:15.6446
Area:903.827
Solvation:-6.95106
Coulombic:-80.7836
Bond Count [?]
All:48
Single:34
Double:14
Rotors:16
Chiral:1
Rigid Segments:12
Chemical Properties
Molecular Weight:619.673
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.81
LogP (Chemaxon):5.96

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