Chemical ID: 6009349

CCOCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6009349
Name [?]:
N-(3-ethoxypropyl)-3-nitro-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H20N4O5S/c1-2-26-9-4-8-20(12-15(22)19-17-18-7-10-27-17)16(23)13-5-3-6-14(11-13)21(24)25/h3,5-7,10-11H,2,4,8-9,12H2,1H3,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,5,20,22,14,6,4,15,24,8,19,23,9,17,12,13,11,7,25,10,18,26,27,3,16/E:(24,25)/CRV:21.5/rA:27nCCOCCCNCCONCNCCSCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N4O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:4.13695
Area:626.206
Solvation:-11.5182
Coulombic:-59.6673
Bond Count [?]
All:28
Single:20
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:392.431
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.24
LogP (Chemaxon):1.72

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Descriptor Annotations

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