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Chemical ID: 7685451
Chemical ID:
7685451
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)N(Cc4ccccc4)Cc5ccccc5
InChi [?]:
InChI=1/C28H30N4O/c1-19(2)32-27-26(20(3)30-32)24(16-25(29-27)23-14-15-23)28(33)31(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,16,19,23H,14-15,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,24,31,23,25,30,32,22,26,29,33,15,16,5,20,27,11,2,21,28,14,4,6,3,8,17,7,10,19,9,18/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(17,18)(21,22)/rA:33nCCCCCCNCNNCCCCCCCONCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s19;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N4O |
All Atoms: | 63 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.8044 |
Area: | 668.946 |
Solvation: | -2.91926 |
Coulombic: | -30.7173 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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