Chemical ID: 6897948

Cc1ccc(cc1C)c2c(sc3c2c(=O)n(cn3)C(C)C(=O)Nc4ccccc4)C
Chemical ID:
6897948
Name [?]:
2-[7-(3,4-dimethylphenyl)-8-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-N-phenyl-propanamide
SMILES [?]:
Cc1ccc(cc1C)c2c(sc3c2c(=O)n(cn3)C(C)C(=O)Nc4ccccc4)C
InChi [?]:
InChI=1/C24H23N3O2S/c1-14-10-11-18(12-15(14)2)20-17(4)30-23-21(20)24(29)27(13-25-23)16(3)22(28)26-19-8-6-5-7-9-19/h5-13,16H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,20,30,27,26,28,25,29,3,4,6,17,2,7,19,10,5,24,9,13,21,12,14,18,23,16,22,15,11/E:(6,7)(8,9)/rA:30cCCCCCCCCCCSCCCONCNCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s13;d14;s14;s16;s12d17;s16;s19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O2S
All Atoms:53
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.5616
Area:631.229
Solvation:-3.21909
Coulombic:-44.4571
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.524
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):5.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue