Chemical ID: 4619948

CCCCCCSc1nnc2n1c3c(c4c(s3)COC(C4)(C)CC)c(=O)n2C
Chemical ID:
4619948
Name [?]:
None
SMILES [?]:
CCCCCCSc1nnc2n1c3c(c4c(s3)COC(C4)(C)CC)c(=O)n2C
InChi [?]:
InChI=1/C20H28N4O2S2/c1-5-7-8-9-10-27-19-22-21-18-23(4)16(25)15-13-11-20(3,6-2)26-12-14(13)28-17(15)24(18)19/h5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,22,28,2,23,3,4,5,6,21,18,15,16,14,25,13,11,8,20,10,9,27,12,26,19,7,17/rA:28cCCCCCCSCNNCNCCCCSCOCCCCCCONC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;d13;s14;d15;s13s16;s16;s18;s19;s15s20;s20;s20;s23;s14;d25;s11s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.387
Area:635.339
Solvation:-2.49652
Coulombic:-40.1685
Bond Count [?]
All:31
Single:26
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.594
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.36
LogP (Chemaxon):3.9

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Descriptor Annotations

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