Chemical ID: 7746309

COc1ccc(cc1)C(=S)N2CCN(CC2)C(=S)c3ccc(cc3)O
Chemical ID:
7746309
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=S)N2CCN(CC2)C(=S)c3ccc(cc3)O
InChi [?]:
InChI=1/C19H20N2O2S2/c1-23-17-8-4-15(5-9-17)19(25)21-12-10-20(11-13-21)18(24)14-2-6-16(22)7-3-14/h2-9,22H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,24,5,7,21,23,4,8,13,15,12,16,19,6,22,3,17,9,14,11,25,2,18,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCOCCCCCCCSNCCNCCCSCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2S2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.7217
Area:573.859
Solvation:-3.6248
Coulombic:-39.9097
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.09
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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