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Chemical ID: 7098746
Chemical ID:
7098746
Name [?]:
N-[4-[[2-[(2-fluorophenyl)methyl]-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl]sulfamoyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccccc4F
InChi [?]:
InChI=1/C23H20FN3O5S/c1-15(28)25-17-6-9-19(10-7-17)33(30,31)26-18-8-11-21-22(12-18)32-14-23(29)27(21)13-16-4-2-3-5-20(16)24/h2-12,26H,13-14H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,30,28,31,6,10,16,7,9,17,20,26,22,2,27,5,15,8,32,18,19,23,33,4,14,25,3,24,12,13,21,11/E:(6,7)(9,10)(30,31)/CRV:33.6/rA:33nCCONCCCCCCSOONCCCCCCOCCONCCCCCCCF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s18s23;s25;s26;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20FN3O5S |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21063 |
Area: | 630.15 |
Solvation: | -6.54311 |
Coulombic: | -58.7645 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 469.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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