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Chemical ID: 7432298
Chemical ID:
7432298
Name [?]:
3-[methyl-[3-oxo-3-(2-thienyl)propyl]-amino]-1-(2-thienyl)propan-1-one
SMILES [?]:
CN(CCC(=O)c1cccs1)CCC(=O)c2cccs2
InChi [?]:
InChI=1/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,18,8,17,4,13,3,12,10,19,5,14,7,16,2,6,15,11,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)/rA:20nCNCCCOCCCCSCCCOCCCCS/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s2;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S2 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4143 |
Area: | 530.059 |
Solvation: | -2.83712 |
Coulombic: | -22.6762 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 307.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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