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Chemical ID: 5922347
Chemical ID:
5922347
Name [?]:
N-(cyclopropylmethyl)-2-fluoro-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]benzamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(CC3CC3)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C27H29FN2O3/c1-20-11-14-23(33-20)18-29(16-15-21-7-3-2-4-8-21)26(31)19-30(17-22-12-13-22)27(32)24-9-5-6-10-25(24)28/h2-11,14,22H,12-13,15-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,29,30,12,16,28,31,3,23,24,4,10,9,21,7,19,2,11,22,5,27,32,17,25,33,8,20,18,26,6/E:(3,4)(7,8)(12,13)/rA:33nCCCCCOCNCCCCCCCCCOCNCCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;d17;s17;s19;s20;s21;s22;s22s23;s20;d25;s25;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H29FN2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4515 |
Area: | 701.065 |
Solvation: | -6.07508 |
Coulombic: | -45.2775 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 448.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.29 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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