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Chemical ID: 7746309
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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