Chemical ID: 7082138

CCc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nc(c(s5)C)C)C)C
Chemical ID:
7082138
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nc(c(s5)C)C)C)C
InChi [?]:
InChI=1/C26H24N2O3S/c1-6-17-7-9-18(10-8-17)22-21-23(29)19-11-13(2)14(3)12-20(19)31-24(21)25(30)28(22)26-27-15(4)16(5)32-26/h7-12,22H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,31,30,29,2,4,8,5,7,14,17,15,16,26,27,3,6,13,18,10,9,11,20,21,24,25,23,12,22,19,28/E:(7,8)(9,10)/rA:32cCCCCCCCCCCCOCCCCCCOCCONCNCCSCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;d24;s25;d26;s24s27;s27;s26;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2O3S
All Atoms:56
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.1532
Area:658.86
Solvation:-3.31829
Coulombic:-40.9033
Bond Count [?]
All:36
Single:25
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.546
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):5.56

Name Annotations

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Descriptor Annotations

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