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Chemical ID: 6014982
Chemical ID:
6014982
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-pentyl-N-propyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccc(o3)C
InChi [?]:
InChI=1/C30H37FN2O3/c1-4-6-7-8-24-10-14-26(15-11-24)30(35)32(19-5-2)22-29(34)33(21-28-18-9-23(3)36-28)20-25-12-16-27(31)17-13-25/h9-18H,4-8,19-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,36,2,16,3,4,5,33,7,11,24,28,8,10,25,27,32,15,22,30,18,34,6,23,9,26,31,19,12,29,14,21,20,13,35/E:(10,11)(12,13)(14,15)(16,17)/rA:36nCCCCCCCCCCCCONCCCCCONCCCCCCCFCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H37FN2O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5255 |
Area: | 736.882 |
Solvation: | -4.89652 |
Coulombic: | -47.5141 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 492.625 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.79 |
LogP (Chemaxon): | 5.88 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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