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Chemical ID: 7685098
Chemical ID:
7685098
Name [?]:
None
SMILES [?]:
CCCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)N3CCN(CC3)S(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C23H29N5O3S/c1-4-5-11-28-22-21(18(3)25-28)20(16-17(2)24-22)23(29)26-12-14-27(15-13-26)32(30,31)19-9-7-6-8-10-19/h6-10,16H,4-5,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,10,2,3,30,29,31,28,32,4,19,23,20,22,12,13,8,27,11,7,6,16,14,9,18,21,5,17,25,26,24/E:(7,8)(9,10)(12,13)(14,15)(30,31)/CRV:32.6/rA:32nCCCCNCCCNCCCCNCCONCCNCCSOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s11;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;d24;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N5O3S |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.8306 |
Area: | 676.138 |
Solvation: | -4.07284 |
Coulombic: | -34.7636 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.47 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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