Chemical ID: 3841855

Cc1ccc2c(c1)c3c([nH]2)nc(nn3)SCC(=O)Nc4ccc(cc4)OC
Chemical ID:
3841855
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)nc(nn3)SCC(=O)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C19H17N5O2S/c1-11-3-8-15-14(9-11)17-18(21-15)22-19(24-23-17)27-10-16(25)20-12-4-6-13(26-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,3,21,25,22,24,4,7,16,2,20,23,6,5,17,8,9,12,19,10,11,14,13,18,26,15/E:(4,5)(6,7)/rA:27nCCCCCCCCCNNCNNSCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5s9;d9;s11;d12;d8s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N5O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8025
Area:594.378
Solvation:-4.05692
Coulombic:-50.285
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.437
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):3.52

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