Chemical ID: 7706391

CCOC(=O)c1c(c(sc1NC(=O)c2csc3c2CCCC3)C)C
Chemical ID:
7706391
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c(sc1NC(=O)c2csc3c2CCCC3)C)C
InChi [?]:
InChI=1/C18H21NO3S2/c1-4-22-18(21)15-10(2)11(3)24-17(15)19-16(20)13-9-23-14-8-6-5-7-12(13)14/h9H,4-8H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,20,21,19,22,15,7,8,18,14,17,6,12,10,4,11,13,5,3,16,9/rA:24nCCOCOCCCSCNCOCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;d14;s15;s16;s14d17;s18;s19;s20;s17s21;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO3S2
All Atoms:45
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:11.5894
Area:566.732
Solvation:-2.57889
Coulombic:-41.3348
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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