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Chemical ID: 5284311
Chemical ID:
5284311
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)c5nccs5
InChi [?]:
InChI=1/C25H22N2O3S/c1-14-5-10-18-17(13-14)21(28)19-20(15-6-8-16(9-7-15)25(2,3)4)27(23(29)22(19)30-18)24-26-11-12-31-24/h5-13,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,3,18,22,19,21,4,29,30,7,2,17,20,6,5,10,16,8,11,13,27,23,28,15,9,14,12,31/E:(2,3,4)(6,7)(8,9)/rA:31cCCCCCCCCOCCOCONCCCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;s15;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1472 |
Area: | 627.356 |
Solvation: | -3.53674 |
Coulombic: | -41.5603 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 430.52 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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