Chemical ID: 7217277

CCC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(o5)Cn6cc(cn6)[N+](=O)[O-])C1
Chemical ID:
7217277
Name [?]:
None
SMILES [?]:
CCC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(o5)Cn6cc(cn6)[N+](=O)[O-])C1
InChi [?]:
InChI=1/C24H25N7O3S/c1-4-24(2,3)14-5-7-17-19(9-14)35-23-20(17)22-27-21(28-30(22)13-25-23)18-8-6-16(34-18)12-29-11-15(10-26-29)31(32)33/h6,8,10-11,13-14H,4-5,7,9,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,7,23,8,22,35,30,28,26,19,6,29,24,9,21,10,13,16,14,12,3,20,31,15,17,27,18,32,33,34,25,11/E:(2,3)(32,33)/CRV:31.5/rA:35cCCCCCCCCCCSCCCNCNNCNCCCCOCNCCCNN+OO-C/rB:s1;s2;s3;s3;s3;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s18;s12d19;s16;d21;s22;d23;s21s24;s24;s26;s27;d28;s29;s27d30;s29;d32;s32;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25N7O3S
All Atoms:60
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.82891
Area:726.552
Solvation:-8.3349
Coulombic:-44.0762
Bond Count [?]
All:40
Single:30
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:491.567
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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