Chemical ID: 6875387

Cc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)CC(=O)Nc4ccc(cc4C)C)C
Chemical ID:
6875387
Name [?]:
N-(2,4-dimethylphenyl)-2-[8-methyl-5-oxo-7-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)CC(=O)Nc4ccc(cc4C)C)C
InChi [?]:
InChI=1/C24H23N3O2S/c1-14-5-8-18(9-6-14)21-17(4)30-23-22(21)24(29)27(13-25-23)12-20(28)26-19-10-7-15(2)11-16(19)3/h5-11,13H,12H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,3,7,24,4,6,23,26,18,16,2,25,27,9,5,22,19,8,12,11,13,17,21,15,20,14,10/E:(5,6)(8,9)/rA:30nCCCCCCCCCSCCCONCNCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s15;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O2S
All Atoms:53
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1445
Area:634.716
Solvation:-3.72342
Coulombic:-43.231
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:417.524
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):4.48

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Descriptor Annotations

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