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Chemical ID: 5653344
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.
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Experimental Annotations
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Descriptor Annotations
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