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Chemical ID: 7735802
Chemical ID:
7735802
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc(s2)N(CCCN(C)C)C(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C27H29N3OS/c1-20-12-10-17-23-25(20)28-27(32-23)30(19-11-18-29(2)3)26(31)24(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-10,12-17,24H,11,18-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,24,30,23,25,29,31,4,13,3,22,26,28,32,5,14,12,2,21,27,6,20,7,18,9,8,15,11,19,10/E:(2,3)(4,5)(6,7,8,9)(13,14,15,16)(21,22)/rA:32nCCCCCCCNCSNCCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;s12;s13;s14;s15;s15;s11;d18;s18;s20;s21;d22;s23;d24;d21s25;s20;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H29N3OS |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.0308 |
Area: | 674.443 |
Solvation: | -2.83027 |
Coulombic: | -32.314 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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