Chemical ID: 6862376

Cc1ccccc1NC(=O)C(C)Sc2nnc3n2c4ccccc4c(c3)C
Chemical ID:
6862376
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)C(C)Sc2nnc3n2c4ccccc4c(c3)C
InChi [?]:
InChI=1/C21H20N4OS/c1-13-8-4-6-10-17(13)22-20(26)15(3)27-21-24-23-19-12-14(2)16-9-5-7-11-18(16)25(19)21/h4-12,15H,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,12,4,22,5,21,3,23,6,20,26,2,25,11,24,7,19,17,9,14,8,16,15,18,10,13/rA:27cCCCCCCCNCOCCSCNNCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s24;s17d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4OS
All Atoms:47
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.9153
Area:578.748
Solvation:-2.5534
Coulombic:-34.5272
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.476
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):4.56

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Descriptor Annotations

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