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Chemical ID: 7684957
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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