Chemical ID: 7685451

Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)N(Cc4ccccc4)Cc5ccccc5
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

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