Chemical ID: 4161633

c1ccc(cc1)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CCCC4
Chemical ID:
4161633
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CCCC4
InChi [?]:
InChI=1/C17H16N4O2S/c22-14(18-11-6-2-1-3-7-11)10-21-17(23)15-12-8-4-5-9-13(12)24-16(15)19-20-21/h1-3,6-7H,4-5,8-10H2,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,10,4,15,16,8,14,18,12,7,19,20,11,9,13,17/E:(2,3)(6,7)/rA:24nCCCCCCNCOCNCOCCCSCNNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d14s17;s18;s11d19;s16;s21;s22;s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.88038
Area:520.636
Solvation:-3.13551
Coulombic:-35.9494
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):2.56

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