Chemical ID: 7684957

c1cc(sc1)CNC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4
Chemical ID:
7684957
Name [?]:
None
SMILES [?]:
c1cc(sc1)CNC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C19H23N3O3S/c23-19(20-11-16-2-1-9-26-16)13-22-7-5-21(6-8-22)12-15-3-4-17-18(10-15)25-14-24-17/h1-4,9-10H,5-8,11-14H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,13,15,12,16,5,23,6,17,10,25,18,3,21,22,8,7,14,11,9,26,24,4/E:(5,6)(7,8)/rA:26nCCCSCCNCOCNCCNCCCCCCCCCOCO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O3S
All Atoms:49
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.1843
Area:602.355
Solvation:-4.87462
Coulombic:-47.6293
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.12
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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