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Chemical ID: 6769468

Cc1cccn2c1nc3c(c2=O)cc(n3C)C(=O)Nc4ccc(cc4)NC(=O)C

Chemical ID:

6769468

Name [?]:

None

SMILES [?]:

Cc1cccn2c1nc3c(c2=O)cc(n3C)C(=O)Nc4ccc(cc4)NC(=O)C

InChi [?]:

InChI=1/C21H19N5O3/c1-12-5-4-10-26-18(12)24-19-16(21(26)29)11-17(25(19)3)20(28)23-15-8-6-14(7-9-15)22-13(2)27/h4-11H,1-3H3,(H,22,27)(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,29,16,4,3,22,24,21,25,5,13,2,27,23,20,10,14,7,9,17,11,26,19,8,15,6,28,18,12/E:(6,7)(8,9)/rA:29nCCCCCNCNCCCOCCNCCONCCCCCCNCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s9s14;s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₅O₃
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9034
Area:	596.859
Solvation:	-4.01812
Coulombic:	-68.8171

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	389.407
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.4
LogP (Chemaxon):	2.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value