Chemical ID: 4903262

Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nc(c(s5)C)C)Cl
Chemical ID:
4903262
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nc(c(s5)C)C)Cl
InChi [?]:
InChI=1/C23H17ClN2O3S/c1-11-4-6-14(7-5-11)19-18-20(27)16-10-15(24)8-9-17(16)29-21(18)22(28)26(19)23-25-12(2)13(3)30-23/h4-10,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,3,7,4,6,15,16,13,2,25,26,5,14,12,17,9,8,10,19,20,23,30,24,22,11,21,18,27/E:(4,5)(6,7)/rA:30cCCCCCCCCCCOCCCCCCOCCONCNCCSCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;d23;s24;d25;s23s26;s26;s25;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClN2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1869
Area:625.104
Solvation:-3.44073
Coulombic:-40.4885
Bond Count [?]
All:34
Single:23
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:436.911
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):4.75

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Descriptor Annotations

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