Chemical ID: 4554371

CC(=O)NC(CCSC)C(=O)Oc1ccc2c(c1)oc(=O)c3c2CCC3
Chemical ID:
4554371
Name [?]:
None
SMILES [?]:
CC(=O)NC(CCSC)C(=O)Oc1ccc2c(c1)oc(=O)c3c2CCC3
InChi [?]:
InChI=1/C19H21NO5S/c1-11(21)20-16(8-9-26-2)19(23)24-12-6-7-14-13-4-3-5-15(13)18(22)25-17(14)10-12/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,25,24,26,14,15,6,7,18,2,13,23,16,22,5,17,20,10,4,3,21,11,12,19,8/rA:26cCCONCCCSCCOOCCCCCCOCOCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s16d22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.0357
Area:592.884
Solvation:-4.78645
Coulombic:-57.1162
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.44
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):2.42

Name Annotations

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Descriptor Annotations

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