Chemical ID: 6012706

Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2c[nH]c3c2cccc3)Cc4ccc(cc4)F
Chemical ID:
6012706
Name [?]:
N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(2-methoxyethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2c[nH]c3c2cccc3)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C30H32FN3O3/c1-22-7-11-24(12-8-22)30(36)34(17-18-37-2)21-29(35)33(20-23-9-13-26(31)14-10-23)16-15-25-19-32-28-6-4-3-5-27(25)28/h3-14,19,32H,15-18,20-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,27,28,26,29,3,7,32,36,4,6,33,35,20,19,11,12,22,30,15,2,31,5,21,34,25,24,16,8,37,23,18,10,17,9,13/E:(7,8)(9,10)(11,12)(13,14)/rA:37nCCCCCCCCONCCOCCCONCCCCNCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s18;s30;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32FN3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.3722
Area:725.913
Solvation:-5.77564
Coulombic:-58.9282
Bond Count [?]
All:40
Single:28
Double:12
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:501.592
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.94
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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