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Chemical ID: 5058466
Chemical ID:
5058466
Name [?]:
None
SMILES [?]:
CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C
InChi [?]:
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)
InChi Info:
AuxInfo=1/1/N:1,3,45,23,22,24,41,13,21,25,40,42,14,12,19,44,33,35,30,2,20,34,29,39,43,37,32,8,15,38,27,9,5,4,16,36,26,31,11,7,28,10,6,18,17/E:(1,2)(5,6)(9,10)/rA:45cCCCCCONCCONCCCCCOOCCCCCCCNCOCCNCCCCNCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;s11s14;s7s15;s4s16;s16;s8;s19;s20;d21;s22;d23;d20s24;s4;s26;d27;s27;s29;s30;s31;s32;s33;d34;s35;s36;s34s37;d38;s39;d40;d37s41;s32s39;s29d43;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C35H39N5O5 |
All Atoms: | 45 |
Heavy Atoms: | 45 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 14.292 |
Area: | 796.927 |
Solvation: | -5.6312 |
Coulombic: | -102.13 |
Bond Count [?]
All: | 52 |
Single: | 41 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 609.715 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.67 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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