Chemical ID: 3892089

Cc1cc2ccccc2n3c1nnc3SCC(=O)Nc4ccc(cc4)S(=O)(=O)N5CCC(CC5)C
Chemical ID:
3892089
Name [?]:
None
SMILES [?]:
Cc1cc2ccccc2n3c1nnc3SCC(=O)Nc4ccc(cc4)S(=O)(=O)N5CCC(CC5)C
InChi [?]:
InChI=1/C25H27N5O3S2/c1-17-11-13-29(14-12-17)35(32,33)21-9-7-20(8-10-21)26-23(31)16-34-25-28-27-24-18(2)15-19-5-3-4-6-22(19)30(24)25/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:35,1,6,7,5,8,21,25,22,24,31,33,30,34,3,16,32,2,4,20,23,9,17,11,14,19,12,13,29,10,18,27,28,15,26/E:(7,8)(9,10)(11,12)(13,14)(32,33)/CRV:35.6/rA:35nCCCCCCCCCNCNNCSCCONCCCCCCSOONCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s12;s10d13;s14;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;d26;s26;s29;s30;s31;s32;s29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N5O3S2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.3963
Area:731.917
Solvation:-3.90162
Coulombic:-40.4697
Bond Count [?]
All:39
Single:27
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:509.646
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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