Chemical ID: 6499811

CC1=C(C(=O)N(C(=O)C1=CNc2ccc(cc2)NC(=O)C)Cc3ccccc3)C#N
Chemical ID:
6499811
Name [?]:
N-[4-[(1-benzyl-5-cyano-4-methyl-2,6-dioxo-3-pyridylidene)methylamino]phenyl]acetamide
SMILES [?]:
CC1=C(C(=O)N(C(=O)C1=CNc2ccc(cc2)NC(=O)C)Cc3ccccc3)C#N
InChi [?]:
InChI=1/C23H20N4O3/c1-15-20(12-24)22(29)27(14-17-6-4-3-5-7-17)23(30)21(15)13-25-18-8-10-19(11-9-18)26-16(2)28/h3-11,13,25H,14H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,21,26,25,27,24,28,13,17,14,16,29,10,22,2,19,23,12,15,3,9,4,7,30,11,18,6,20,5,8/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCONCOCCNCCCCCCNCOCCCCCCCCCN/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s6;s22;s23;d24;s25;d26;d23s27;s3;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.4057
Area:630.048
Solvation:-4.34552
Coulombic:-60.1614
Bond Count [?]
All:32
Single:20
Double:11
Rotors:6
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:400.43
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.72
LogP (Chemaxon):2.24

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Descriptor Annotations

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