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Chemical ID: 4159067
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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