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Chemical ID: 5145884

c1cc(sc1)C(=O)NC(=S)NCCCNc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

5145884

Name [?]:

N-[3-(4-nitrophenyl)aminopropylthiocarbamoyl]thiophene-2-carboxamide

SMILES [?]:

c1cc(sc1)C(=O)NC(=S)NCCCNc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H16N4O3S2/c20-14(13-3-1-10-24-13)18-15(23)17-9-2-8-16-11-4-6-12(7-5-11)19(21)22/h1,3-7,10,16H,2,8-9H2,(H2,17,18,20,23)

InChi Info:

AuxInfo=1/1/N:1,13,2,17,21,18,20,14,12,5,16,19,3,6,9,15,11,8,22,7,23,24,10,4/E:(4,5)(6,7)(21,22)/CRV:19.5/rA:24nCCCSCCONCSNCCCNCCCCCCN+OO-/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₄O₃S₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.18895
Area:	602.118
Solvation:	-7.86401
Coulombic:	-58.0849

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	364.445
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	2.06
LogP (Chemaxon):	2.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value