Chemical ID: 4501273

c1cc(ccc1c2csc3c2C(=O)N4CCCC4N3)Cl
Chemical ID:
4501273
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2csc3c2C(=O)N4CCCC4N3)Cl
InChi [?]:
InChI=1/C15H13ClN2OS/c16-10-5-3-9(4-6-10)11-8-20-14-13(11)15(19)18-7-1-2-12(18)17-14/h3-6,8,12,17H,1-2,7H2
InChi Info:
AuxInfo=1/0/N:16,17,1,5,2,4,15,8,6,3,7,18,11,10,12,20,19,14,13,9/E:(3,4)(5,6)/rA:20cCCCCCCCCSCCCONCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s11;d12;s12;s14;s15;s16;s14s17;s10s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.63059
Area:459.267
Solvation:-1.85108
Coulombic:-30.5866
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:304.795
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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