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Chemical ID: 7735832
Chemical ID:
7735832
Name [?]:
None
SMILES [?]:
CN(C)CCCN(c1nc2c(cccc2s1)OC)C(=O)CCOc3ccccc3
InChi [?]:
InChI=1/C22H27N3O3S/c1-24(2)14-8-15-25(20(26)13-16-28-17-9-5-4-6-10-17)22-23-21-18(27-3)11-7-12-19(21)29-22/h4-7,9-12H,8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,27,26,28,13,5,25,29,12,14,21,4,6,22,24,11,15,19,10,8,9,2,7,20,17,23,16/E:(1,2)(5,6)(9,10)/rA:29nCNCCCCNCNCCCCCCSOCCOCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s11;s17;s7;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O3S |
All Atoms: | 56 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.566 |
Area: | 663.816 |
Solvation: | -6.02943 |
Coulombic: | -41.9262 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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