Chemical ID: 4758052

CCOC(=O)N1CCc2c(sc3c2c(=O)n(cn3)CC(=O)N)C1
Chemical ID:
4758052
Name [?]:
None
SMILES [?]:
CCOC(=O)N1CCc2c(sc3c2c(=O)n(cn3)CC(=O)N)C1
InChi [?]:
InChI=1/C14H16N4O4S/c1-2-22-14(21)17-4-3-8-9(5-17)23-12-11(8)13(20)18(7-16-12)6-10(15)19/h7H,2-6H2,1H3,(H2,15,19)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,23,19,17,9,10,20,13,12,14,4,22,18,6,16,21,15,5,3,11/rA:23nCCOCONCCCCSCCCONCNCCONC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s14;s16;s12d17;s16;s19;d20;s20;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.72556
Area:518.316
Solvation:-4.23233
Coulombic:-74.2831
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.367
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-1.63
LogP (Chemaxon):-0.47

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Descriptor Annotations

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