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Chemical ID: 6475417

c1ccc2c(c1)ccc3n2c(nn3)SCC(=O)Nc4ccc(cc4)S(=O)(=O)N

Chemical ID:

6475417

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)ccc3n2c(nn3)SCC(=O)Nc4ccc(cc4)S(=O)(=O)N

InChi [?]:

InChI=1/C18H15N5O3S2/c19-28(25,26)14-8-6-13(7-9-14)20-17(24)11-27-18-22-21-16-10-5-12-3-1-2-4-15(12)23(16)18/h1-10H,11H2,(H,20,24)(H2,19,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,7,20,24,21,23,8,15,5,19,22,4,9,16,11,28,18,13,12,10,17,26,27,14,25/E:(6,7)(8,9)(25,26)/CRV:28.6/rA:28nCCCCCCCCCNCNNSCCONCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;d9s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;d25;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅N₅O₃S₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.003
Area:	605.791
Solvation:	-4.14175
Coulombic:	-48.2202

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	413.476
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.81
LogP (Chemaxon):	2.37

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

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Chemical Mix	Source	External ID	Descriptor	Value