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Chemical ID: 6575383
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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