Chemical ID: 7688272

CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3cc(c(c(c3)OC)OC)OC
Chemical ID:
7688272
Name [?]:
None
SMILES [?]:
CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C18H21N3O5S/c1-5-27-18-20-16-14(17(23)21-18)10(8-13(22)19-16)9-6-11(24-2)15(26-4)12(7-9)25-3/h6-7,10H,5,8H2,1-4H3,(H2,19,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,2,21,17,14,16,15,20,18,12,8,19,9,6,4,11,10,5,13,7,22,26,24,3/E:(2,3)(6,7)(11,12)(24,25)/rA:27cCCSCNCOCCNNCOCCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;d4s9;s9;s11;d12;s12;s8s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O5S
All Atoms:48
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:6.66597
Area:577.82
Solvation:-7.77954
Coulombic:-66.1041
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.3
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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