Chemical ID: 5609153

CCNC(=O)NC(=O)C(C)Sc1[nH]c(=O)c2c3c(sc2n1)CCCC3
Chemical ID:
5609153
Name [?]:
None
SMILES [?]:
CCNC(=O)NC(=O)C(C)Sc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C16H20N4O3S2/c1-3-17-15(23)18-12(21)8(2)24-16-19-13(22)11-9-6-4-5-7-10(9)25-14(11)20-16/h8H,3-7H2,1-2H3,(H,19,20,22)(H2,17,18,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,2,24,23,25,22,9,17,18,16,7,14,20,4,12,3,6,13,21,8,15,5,11,19/rA:25cCCNCONCOCCSCNCOCCCSCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d16s19;d12s20;s18;s22;s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N4O3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.1483
Area:577.215
Solvation:-4.28207
Coulombic:-68.5528
Bond Count [?]
All:27
Single:21
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.487
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.88
LogP (Chemaxon):2.31

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Descriptor Annotations

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