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Chemical ID: 6012783
Chemical ID:
6012783
Name [?]:
2-fluoro-N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
COCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C30H31F2N3O3/c1-38-18-6-16-35(30(37)26-8-2-4-9-27(26)32)21-29(36)34(20-22-11-13-24(31)14-12-22)17-15-23-19-33-28-10-5-3-7-25(23)28/h2-5,7-14,19,33H,6,15-18,20-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,34,19,35,20,4,18,33,36,21,24,28,25,27,12,5,11,3,14,22,7,23,13,26,17,32,37,16,8,30,29,38,15,10,6,9,31,2/E:(11,12)(13,14)/rA:38nCOCCCNCCONCCCCNCCCCCCCCCCCCCFCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;s15;s13s16;d17;s18;d19;d16s20;s10;s22;s23;d24;s25;d26;d23s27;s26;s6;d30;s30;s32;d33;s34;d35;d32s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31F2N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7956 |
Area: | 766.527 |
Solvation: | -8.36758 |
Coulombic: | -60.2183 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 519.582 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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