Chemical ID: 7345287

CCCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
Chemical ID:
7345287
Name [?]:
None
SMILES [?]:
CCCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C22H21N3O2/c1-2-11-23-21(26)18-12-16-13-7-5-6-10-17(13)24-19(16)20-14-8-3-4-9-15(14)22(27)25(18)20/h3-10,18,20,24H,2,11-12H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,12,13,11,24,27,14,3,8,10,23,22,9,15,7,17,18,5,20,4,16,19,6,21/rA:27cCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d9s16;s17;s7s18;s19;d20;s20;s18s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3O2
All Atoms:48
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.7704
Area:558.416
Solvation:-3.18996
Coulombic:-51.7209
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.421
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.82
LogP (Chemaxon):2.84

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