Chemical ID: 5293894

CCCc1nc2c3cc4c(nc3sc2c(=O)n1CCOC)CC(OC4)(C)C
Chemical ID:
5293894
Name [?]:
None
SMILES [?]:
CCCc1nc2c3cc4c(nc3sc2c(=O)n1CCOC)CC(OC4)(C)C
InChi [?]:
InChI=1/C20H25N3O3S/c1-5-6-15-22-16-13-9-12-11-26-20(2,3)10-14(12)21-18(13)27-17(16)19(24)23(15)7-8-25-4/h9H,5-8,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,21,2,3,18,19,8,22,25,9,7,10,4,6,14,12,15,23,11,5,17,16,20,24,13/E:(2,3)/rA:27nCCCCNCCCCCNCSCCONCCOCCCOCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;d6s13;s14;d15;s4s15;s17;s18;s19;s20;s10;s22;s23;s9s24;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4132
Area:584.755
Solvation:-4.20562
Coulombic:-43.0592
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:387.497
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.75
LogP (Chemaxon):2.86

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