Chemical ID: 6449770

CC(C)(C)C1CCc2c(sc3c2c(=O)n(c(n3)SCC=C)c4ccc(cc4)OC)C1
Chemical ID:
6449770
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c(=O)n(c(n3)SCC=C)c4ccc(cc4)OC)C1
InChi [?]:
InChI=1/C24H28N2O2S2/c1-6-13-29-23-25-21-20(18-12-7-15(24(2,3)4)14-19(18)30-21)22(27)26(23)16-8-10-17(28-5)11-9-16/h6,8-11,15H,1,7,12-14H2,2-5H3
InChi Info:
AuxInfo=1/0/N:21,1,3,4,29,20,6,23,27,24,26,7,19,30,5,22,25,8,9,12,11,13,16,2,17,15,14,28,18,10/E:(2,3,4)(8,9)(10,11)/rA:30cCCCCCCCCCSCCCONCNSCCCCCCCCCOCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s16;s18;s19;d20;s15;s22;d23;s24;d25;d22s26;s25;s28;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O2S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.6363
Area:657.93
Solvation:-2.81198
Coulombic:-34.3212
Bond Count [?]
All:33
Single:25
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.623
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):6.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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