Chemical ID: 4903701

CC(=O)CCCSc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)nc(n1)SC
Chemical ID:
4903701
Name [?]:
None
SMILES [?]:
CC(=O)CCCSc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)nc(n1)SC
InChi [?]:
InChI=1/C24H30N4O3S3/c1-14(29)6-5-11-33-22-19-18(25-23(27-22)32-4)17-15-12-24(2,3)31-13-16(15)20(26-21(17)34-19)28-7-9-30-10-8-28/h5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,34,5,4,19,23,20,22,6,27,24,2,12,13,11,10,9,14,16,8,31,26,30,15,32,18,3,21,25,33,7,17/E:(2,3)(7,8)(9,10)/rA:34nCCOCCCSCCCCCCCNCSNCCOCCCOCCCCNCNSC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;s20;s21;s18s22;s13;s24;s25;s12s26;s26;s26;s10;d30;d8s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N4O3S3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.964
Area:739.278
Solvation:-5.51791
Coulombic:-47.8082
Bond Count [?]
All:38
Single:31
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:518.718
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.5
LogP (Chemaxon):5.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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