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Chemical ID: 4807103
Chemical ID:
4807103
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccccc4)C(=O)NCCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H27N5O3/c1-19-7-6-16-33-26(19)32-27-24(29(33)36)17-23(25(30)34(27)18-21-8-4-3-5-9-21)28(35)31-15-14-20-10-12-22(37-2)13-11-20/h3-13,16-17,30H,14-15,18H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,37,22,21,23,4,3,20,24,31,35,32,34,29,28,5,13,18,2,30,19,33,14,10,15,7,9,25,11,16,27,8,6,17,26,12,36/E:(4,5)(8,9)(10,11)(12,13)/rA:37nCCCCCNCNCCCOCCCNNCCCCCCCCONCCCCCCCCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;d20;s21;d22;d19s23;s14;d25;s25;s27;s28;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27N5O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6132 |
Area: | 728.262 |
Solvation: | -4.59335 |
Coulombic: | -71.5737 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 493.557 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.52 |
LogP (Chemaxon): | 5.13 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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