Chemical ID: 7283247

CCN(CC(=O)NCc1cccs1)C(=O)c2ccc(c(c2)[N+](=O)[O-])OC
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

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Descriptor Annotations

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