Chemical ID: 4700776

c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)NC(=O)N(N4)c5ccccc5
Chemical ID:
4700776
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)NC(=O)N(N4)c5ccccc5
InChi [?]:
InChI=1/C20H22N6O2/c27-17-21-19(23-25(17)15-7-3-1-4-8-15)11-13-20(14-12-19)22-18(28)26(24-20)16-9-5-2-6-10-16/h1-10,23-24H,11-14H2,(H,21,27)(H,22,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,13,17,14,16,4,23,8,19,11,15,10,18,12,22,7,21,9,20/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCNCONCNCCCCCNCONNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;s11;s13;s14;s15;s11s16;s15;s18;d19;s19;s15s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N6O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9285
Area:575.2
Solvation:-3.45144
Coulombic:-68.854
Bond Count [?]
All:32
Single:24
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:378.428
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:3.3
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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