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Chemical ID: 4467929
Chemical ID:
4467929
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nnc(s5)C
InChi [?]:
InChI=1/C24H21N3O4S/c1-3-4-12-30-16-9-7-8-15(13-16)20-19-21(28)17-10-5-6-11-18(17)31-22(19)23(29)27(20)24-26-25-14(2)32-24/h5-11,13,20H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,18,19,8,9,7,17,20,4,11,30,10,6,16,21,13,12,14,23,24,27,29,28,26,15,25,5,22,31/rA:32cCCCCOCCCCCCCCCOCCCCCCOCCONCNNCSC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;d27;s28;d29;s27s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9217 |
Area: | 665.681 |
Solvation: | -4.72028 |
Coulombic: | -46.9153 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 447.507 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.76 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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