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Chemical ID: 7283247
Chemical ID:
7283247
Name [?]:
N-ethyl-4-methoxy-3-nitro-N-(2-thienylmethylcarbamoylmethyl)benzamide
SMILES [?]:
CCN(CC(=O)NCc1cccs1)C(=O)c2ccc(c(c2)[N+](=O)[O-])OC
InChi [?]:
InChI=1/C17H19N3O5S/c1-3-19(11-16(21)18-10-13-5-4-8-26-13)17(22)12-6-7-15(25-2)14(9-12)20(23)24/h4-9H,3,10-11H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,26,2,11,10,17,18,12,21,8,4,16,9,20,19,5,14,7,3,22,6,15,23,24,25,13/E:(23,24)/CRV:20.5/rA:26nCCNCCONCCCCCSCOCCCCCCN+OO-OC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O5S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.8239 |
Area: | 587.287 |
Solvation: | -11.8583 |
Coulombic: | -54.3699 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 377.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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