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Chemical ID: 7680570
Chemical ID:
7680570
Name [?]:
None
SMILES [?]:
CC(C)(C)C(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C20H25N3O2S/c1-20(2,3)19(25)23-12-10-22(11-13-23)16-8-6-15(7-9-16)21-18(24)17-5-4-14-26-17/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,15,17,14,18,9,11,8,12,25,16,13,22,20,5,2,19,10,7,21,6,26/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCONCCNCCCCCCCCNCOCCCCS/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O2S |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1453 |
Area: | 584.048 |
Solvation: | -3.45593 |
Coulombic: | -45.0648 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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