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Chemical ID: 7710415
Chemical ID:
7710415
Name [?]:
None
SMILES [?]:
CC1=C(C(n2c(nc(n2)c3ccc(cc3)O)N1)c4ccc(cc4)OC)C(=O)Nc5cccnc5
InChi [?]:
InChI=1/C25H22N6O3/c1-15-21(24(33)28-18-4-3-13-26-14-18)22(16-7-11-20(34-2)12-8-16)31-25(27-15)29-23(30-31)17-5-9-19(32)10-6-17/h3-14,22,32H,1-2H3,(H,28,33)(H,27,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,31,30,11,15,19,23,12,14,20,22,32,34,2,18,10,29,13,21,3,4,8,26,6,33,17,28,7,9,5,16,27,24/E:(5,6)(7,8)(9,10)(11,12)/rA:34cCCCCNCNCNCCCCCCONCCCCCCOCCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s13;s2s6;s4;s18;d19;s20;d21;d18s22;s21;s24;s3;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N6O3 |
All Atoms: | 56 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2369 |
Area: | 669.772 |
Solvation: | -5.50745 |
Coulombic: | -73.7612 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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