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Chemical ID: 7038085
Chemical ID:
7038085
Name [?]:
4-chloro-N-[(4-chlorobenzoyl)amino-(3-methoxy-4-propoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H24Cl2N2O4/c1-3-14-33-21-13-8-18(15-22(21)32-2)23(28-24(30)16-4-9-19(26)10-5-16)29-25(31)17-6-11-20(27)12-7-17/h4-13,15,23H,3,14H2,1-2H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,12,2,18,22,28,32,7,19,21,29,31,6,3,9,17,27,8,20,30,5,10,13,15,25,23,33,14,24,16,26,11,4/E:(4,5,6,7)(9,10,11,12)(16,17)(19,20)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:33nCCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s13;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24Cl2N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.933 |
Area: | 748.164 |
Solvation: | -6.77106 |
Coulombic: | -60.3772 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 487.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.18 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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