Chemical ID: 7727359

CCOC(=O)c1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3
Chemical ID:
7727359
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3
InChi [?]:
InChI=1/C18H19N3O4S2/c1-3-25-17(24)11-4-6-12(7-5-11)19-14(22)10-27-18-20-13-8-9-26-15(13)16(23)21(18)2/h4-7H,3,8-10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,11,8,10,27,26,15,6,9,19,13,20,21,4,17,12,18,23,14,22,5,3,25,16/E:(4,5)(6,7)/rA:27nCCOCOCCCCCCNCOCSCNCCCONCSCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;s20;d21;s17s21;s23;s20;s25;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O4S2
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.512
Area:629.646
Solvation:-4.2292
Coulombic:-62.3603
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.52
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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