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Chemical ID: 7292079
Chemical ID:
7292079
Name [?]:
N,3-dimethyl-4-nitro-N-(2-thienylmethyl)benzamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)Cc2cccs2
InChi [?]:
InChI=1/C14H14N2O3S/c1-10-8-11(5-6-13(10)16(18)19)14(17)15(2)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,5,6,19,3,15,2,4,16,7,11,13,8,12,9,10,20/E:(18,19)/CRV:16.5/rA:20nCCCCCCCN+OO-CONCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;s13;s13;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O3S |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.33652 |
Area: | 473.745 |
Solvation: | -7.50711 |
Coulombic: | -30.2117 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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