Chemical ID: 4286350

CCOc1ccc(cc1)n2c(=S)c-3c(s2)C(N(c4c3cc(cc4)C)Cc5ccccc5)(C)C
Chemical ID:
4286350
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)n2c(=S)c-3c(s2)C(N(c4c3cc(cc4)C)Cc5ccccc5)(C)C
InChi [?]:
InChI=1/C28H28N2OS2/c1-5-31-22-14-12-21(13-15-22)30-27(32)25-23-17-19(2)11-16-24(23)29(28(3,4)26(25)33-30)18-20-9-7-6-8-10-20/h6-17H,5,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,32,33,2,29,28,30,27,31,22,6,8,5,9,23,20,25,21,26,7,4,19,18,13,14,11,16,17,10,3,12,15/E:(3,4)(7,8)(9,10)(12,13)(14,15)/rA:33cCCOCCCCCCNCSCCSCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s10s14;s14;s16;s17;s13s18;d19;s20;d21;d18s22;s21;s17;s25;s26;d27;s28;d29;d26s30;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28N2OS2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.7733
Area:666.486
Solvation:-2.88888
Coulombic:-23.0034
Bond Count [?]
All:37
Single:26
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:472.667
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.6
LogP (Chemaxon):7.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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