Chemical ID: 7657989

CCC(CC)C(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
Chemical ID:
7657989
Name [?]:
None
SMILES [?]:
CCC(CC)C(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
InChi [?]:
InChI=1/C16H22N2O6S/c1-4-9(5-2)13(20)17-11-14(21)18-12(16(22)23)10(6-24-8(3)19)7-25-15(11)18/h9,11,15H,4-7H2,1-3H3,(H,17,20)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,4,18,16,20,3,15,9,14,6,12,10,23,8,11,21,7,13,24,25,19,17/E:(1,2)(4,5)(22,23)/rA:25cCCCCCCONCCNCOCCCSCOCOCCOO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s9s11;d12;s11;d14;s15;s10s16;s15;s18;s19;d20;s20;s14;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O6S
All Atoms:47
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:8.85136
Area:572.14
Solvation:-5.45215
Coulombic:-82.2473
Bond Count [?]
All:26
Single:21
Double:5
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.89
LogP (Chemaxon):None

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Descriptor Annotations

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