Chemical ID: 5653344

CC(COC)n1c(=O)c2ccccc2nc1SCC(=O)N3c4ccccc4Sc5c3cccc5
Chemical ID:
5653344
Name [?]:
3-(2-methoxy-1-methyl-ethyl)-2-(phenothiazin-10-ylcarbonylmethylsulfanyl)quinazolin-4-one
SMILES [?]:
CC(COC)n1c(=O)c2ccccc2nc1SCC(=O)N3c4ccccc4Sc5c3cccc5
InChi [?]:
InChI=1/C26H23N3O3S2/c1-17(15-32-2)28-25(31)18-9-3-4-10-19(18)27-26(28)33-16-24(30)29-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)29/h3-14,17H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,11,12,24,32,25,33,10,13,23,31,26,34,3,18,2,9,14,22,30,27,29,19,7,16,15,6,21,20,8,4,17,28/E:(5,6)(7,8)(11,12)(13,14)(20,21)(22,23)/rA:34cCCCOCNCOCCCCCCNCSCCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s6d15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s21s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23N3O3S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.9136
Area:659.899
Solvation:-4.58386
Coulombic:-48.2752
Bond Count [?]
All:38
Single:26
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.611
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):5.37

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