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Chemical ID: 6762682

Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl

Chemical ID:

6762682

Name [?]:

None

SMILES [?]:

Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl

InChi [?]:

InChI=1/C20H12ClN3O3S/c1-10-22-23-20(28-10)24-16(11-6-8-12(21)9-7-11)15-17(25)13-4-2-3-5-14(13)27-18(15)19(24)26/h2-9,16H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,15,13,16,23,27,24,26,2,22,25,12,17,9,8,10,19,20,5,28,3,4,7,11,21,18,6/E:(6,7)(8,9)/rA:28cCCNNCSNCCCOCCCCCCOCCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₂ClN₃O₃S
All Atoms:	40
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1313
Area:	582.387
Solvation:	-3.42842
Coulombic:	-39.9026

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	409.846
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.12
LogP (Chemaxon):	3.06

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