Chemical ID: 4810467

CC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(c(c5)OC)OC)C1
Chemical ID:
4810467
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(c(c5)OC)OC)C1
InChi [?]:
InChI=1/C23H26N4O2S/c1-23(2,3)14-7-8-15-18(11-14)30-22-19(15)21-25-20(26-27(21)12-24-22)13-6-9-16(28-4)17(10-13)29-5/h6,9-10,12,14H,7-8,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,29,27,21,6,7,22,25,30,18,20,5,8,23,24,9,12,15,13,11,2,19,14,16,17,28,26,10/E:(1,2,3)/rA:30cCCCCCCCCCSCCCNCNNCNCCCCCCOCOCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;d15;s13s16;s17;s11d18;s15;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9897
Area:627.018
Solvation:-4.68578
Coulombic:-33.4217
Bond Count [?]
All:34
Single:26
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.544
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.7
LogP (Chemaxon):5.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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