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Chemical ID: 6233755
Chemical ID:
6233755
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)N=c2c(cc3c(n2CC(C)C)nc4ccccn4c3=O)C(=O)OCC
InChi [?]:
InChI=1/C27H28N4O5/c1-5-35-19-12-10-18(11-13-19)25(32)29-24-21(27(34)36-6-2)15-20-23(31(24)16-17(3)4)28-22-9-7-8-14-30(22)26(20)33/h7-15,17H,5-6,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,21,22,2,35,26,27,25,6,8,5,9,28,15,19,20,7,4,16,14,24,17,13,10,30,32,23,12,29,18,11,31,33,3,34/E:(3,4)(10,11)(12,13)/rA:36nCCOCCCCCCCONCCCCCNCCCCNCCCCCNCOCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;w12;s13;d14;s15;d16;s13s17;s18;s19;s20;s20;s17;d23;s24;d25;s26;d27;s24s28;s16s29;d30;s14;d32;s32;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N4O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9488 |
Area: | 694.226 |
Solvation: | -4.40686 |
Coulombic: | -72.5879 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 488.535 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.52 |
LogP (Chemaxon): | 4.29 |
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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