Chemical ID: 7041823

Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5cccnc5)C
Chemical ID:
7041823
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5cccnc5)C
InChi [?]:
InChI=1/C21H15N3O3S/c1-11-12(2)28-21(23-11)24-17(13-6-5-9-22-10-13)16-18(25)14-7-3-4-8-15(14)27-19(16)20(24)26/h3-10,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,14,15,24,23,13,16,25,27,2,3,22,12,17,9,8,10,19,20,5,26,6,7,11,21,18,4/rA:28cCCCSCNNCCCOCCCCCCOCCOCCCCNCC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N3O3S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.0806
Area:562.931
Solvation:-3.99272
Coulombic:-43.8081
Bond Count [?]
All:32
Single:21
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:389.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):2.45

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Experimental Annotations

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Descriptor Annotations

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