Chemical ID: 4159067

Cc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)c4c(s3)CC(CC4)C
Chemical ID:
4159067
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)c4c(s3)CC(CC4)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-12-3-6-14(7-4-12)16(23)10-22-11-21-19-18(20(22)24)15-8-5-13(2)9-17(15)25-19/h3-4,6-7,11,13H,5,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,3,7,23,4,6,24,21,10,12,2,22,5,18,8,19,15,14,16,13,11,9,17,20/E:(3,4)(6,7)/rA:25cCCCCCCCCOCNCNCCCOCCSCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s19;s21;s22;s18s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.6565
Area:550.881
Solvation:-3.11554
Coulombic:-31.1858
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.83
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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