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Chemical ID: 7723443
Chemical ID:
7723443
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)n(c(=NC(=O)c3cc(c(c(c3)OC)OC)OC)s2)C)C
InChi [?]:
InChI=1/C20H22N2O4S/c1-11-7-12(2)18-14(8-11)22(3)20(27-18)21-19(23)13-9-15(24-4)17(26-6)16(10-13)25-5/h7-10H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,26,20,24,22,3,7,18,14,2,4,13,6,17,15,16,5,11,9,10,8,12,19,23,21,25/E:(4,5)(9,10)(15,16)(24,25)/rA:27nCCCCCCCNCNCOCCCCCCOCOCOCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s15;s23;s5s9;s8;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4S |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.6146 |
Area: | 589.949 |
Solvation: | -6.13412 |
Coulombic: | -45.0781 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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