Chemical ID: 6575383

c1cc2c(cc1NC(=O)c3cc(ccc3Cl)S(=O)(=O)N4CCOCC4)nc5n2CCCCC5
Chemical ID:
6575383
Name [?]:
None
SMILES [?]:
c1cc2c(cc1NC(=O)c3cc(ccc3Cl)S(=O)(=O)N4CCOCC4)nc5n2CCCCC5
InChi [?]:
InChI=1/C23H25ClN4O4S/c24-19-7-6-17(33(30,31)27-10-12-32-13-11-27)15-18(19)23(29)25-16-5-8-21-20(14-16)26-22-4-2-1-3-9-28(21)22/h5-8,14-15H,1-4,9-13H2,(H,25,29)
InChi Info:
AuxInfo=1/1/N:31,32,30,33,1,13,14,2,29,21,25,22,24,5,11,6,12,10,15,4,3,27,8,16,7,26,20,28,9,18,19,23,17/E:(10,11)(12,13)(30,31)/CRV:33.6/rA:33nCCCCCCNCOCCCCCCClSOONCCOCCNCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;d17;s17;s20;s21;s22;s23;s20s24;s4;d26;s3s27;s28;s29;s30;s31;s27s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25ClN4O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.68
Area:681.838
Solvation:-5.36596
Coulombic:-46.3398
Bond Count [?]
All:37
Single:27
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:488.988
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.83
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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