Chemical ID: 7345966

c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NCc6cccs6
Chemical ID:
7345966
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NCc6cccs6
InChi [?]:
InChI=1/C24H19N3O2S/c28-23(25-13-14-6-5-11-30-14)20-12-18-15-7-3-4-10-19(15)26-21(18)22-16-8-1-2-9-17(16)24(29)27(20)22/h1-11,20,22,26H,12-13H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,28,27,6,12,15,3,29,21,25,26,5,11,16,7,4,20,8,10,22,17,24,9,19,23,18,30/rA:30cCCCCCCCCNCCCCCCCCONCCCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;s19;s7s20;s20;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19N3O2S
All Atoms:49
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.955
Area:616.044
Solvation:-3.44608
Coulombic:-52.5231
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:413.493
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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