Chemical ID: 5228243

CCOC(=O)c1c(c-2c(n1C)CCc3c2[nH]c(=N)s3)C
Chemical ID:
5228243
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c-2c(n1C)CCc3c2[nH]c(=N)s3)C
InChi [?]:
InChI=1/C14H17N3O2S/c1-4-19-13(18)12-7(2)10-8(17(12)3)5-6-9-11(10)16-14(15)20-9/h4-6H2,1-3H3,(H2,15,16)
InChi Info:
AuxInfo=1/1/N:1,20,11,2,12,13,7,9,14,8,15,6,4,17,18,16,10,5,3,19/rA:20nCCOCOCCCCNCCCCCNCNSC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s9;s12;s13;s8d14;s15;s16;w17;s14s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.5959
Area:469.236
Solvation:-2.135
Coulombic:-49.596
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:291.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):1.55

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Descriptor Annotations

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