Chemical ID: 4571616

c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)N
Chemical ID:
4571616
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)N
InChi [?]:
InChI=1/C22H22N4O2/c23-25-13-20(27)26-18(11-10-14-6-2-1-3-7-14)21-16(12-19(26)22(25)28)15-8-4-5-9-17(15)24-21/h1-9,18-19,24H,10-13,23H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,7,8,19,24,4,12,11,17,9,20,22,10,26,28,18,25,21,23,27/E:(2,3)(6,7)/rA:28cCCCCCCCCCCCCCCCCCNCCNCOCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s21;d22;s22;s24;s20s25;d26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:9.74712
Area:551.869
Solvation:-4.04961
Coulombic:-51.9272
Bond Count [?]
All:32
Single:23
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:374.436
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.88
LogP (Chemaxon):2.69

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Descriptor Annotations

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