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Chemical ID: 6024856
Chemical ID:
6024856
Name [?]:
4-butoxy-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
InChi [?]:
InChI=1/C29H35FN2O3S/c1-4-6-17-35-26-13-9-24(10-14-26)29(34)31(16-5-2)21-28(33)32(20-27-22(3)15-18-36-27)19-23-7-11-25(30)12-8-23/h7-15,18H,4-6,16-17,19-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,36,2,16,3,24,28,8,10,25,27,7,11,33,15,4,34,22,30,18,32,23,9,26,6,31,19,12,29,14,21,20,13,5,35/E:(7,8)(9,10)(11,12)(13,14)/rA:36nCCCCOCCCCCCCONCCCCCONCCCCCCCFCCCCCSC/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;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H35FN2O3S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8018 |
Area: | 723.734 |
Solvation: | -5.29158 |
Coulombic: | -48.1976 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 510.664 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.7 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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