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Chemical ID: 4906170
Chemical ID:
4906170
Name [?]:
None
SMILES [?]:
Cc1c(c(c(nc1C(=O)O)c2ccc3c(n2)c4=NC(N=c4c(c3O)OC)(C)C)N)c5ccc(c(c5O)OC)OC
InChi [?]:
InChI=1/C28H27N5O7/c1-11-16(12-8-10-15(38-4)25(39-5)23(12)34)17(29)20(31-18(11)27(36)37)14-9-7-13-19(30-14)21-22(26(40-6)24(13)35)33-28(2,3)32-21/h7-10,34-35H,29H2,1-6H3,(H,36,37)
InChi Info:
AuxInfo=1/1/N:1,27,28,40,38,26,13,31,12,32,2,30,14,11,33,3,4,7,15,5,17,21,35,23,34,22,8,19,29,16,6,18,20,36,24,9,10,39,37,25/E:(2,3)(36,37)/rA:40nCCCCCNCCOOCCCCCNCNCNCCCOOCCCNCCCCCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s21;s14d22;s23;s22;s25;s19;s19;s4;s3;s30;d31;s32;d33;d30s34;s35;s34;s37;s33;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27N5O7 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57212 |
Area: | 760.102 |
Solvation: | -9.43044 |
Coulombic: | -121.643 |
Bond Count [?]
All: | 44 |
Single: | 31 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 545.543 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 10 |
XLogP: | -0.04 |
LogP (Chemaxon): | 2.83 |
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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