Chemical ID: 7390111

Cc1cc(c(c(c1)C)C2C3=C(c4ccccc4C3=O)Nc5ccccc5S2)C
Chemical ID:
7390111
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)C2C3=C(c4ccccc4C3=O)Nc5ccccc5S2)C
InChi [?]:
InChI=1/C25H21NOS/c1-14-12-15(2)21(16(3)13-14)25-22-23(17-8-4-5-9-18(17)24(22)27)26-19-10-6-7-11-20(19)28-25/h4-13,25-26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,28,14,15,23,24,13,16,22,25,7,3,2,6,4,12,17,21,26,5,10,11,18,9,20,19,27/E:(2,3)(12,13)(15,16)/rA:28cCCCCCCCCCCCCCCCCCCONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;d18;s11;s20;s21;d22;s23;d24;d21s25;s9s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21NOS
All Atoms:49
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7293
Area:551.948
Solvation:-2.0694
Coulombic:-23.6965
Bond Count [?]
All:32
Single:21
Double:11
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:383.506
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.63
LogP (Chemaxon):5.71

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Descriptor Annotations

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