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Chemical ID: 7038286
Chemical ID:
7038286
Name [?]:
4-chloro-N-[(4-chlorobenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C27H28Cl2N2O4/c1-3-4-5-16-35-23-15-10-20(17-24(23)34-2)25(30-26(32)18-6-11-21(28)12-7-18)31-27(33)19-8-13-22(29)14-9-19/h6-15,17,25H,3-5,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,20,24,30,34,9,21,23,31,33,8,5,11,19,29,10,22,32,7,12,15,17,27,25,35,16,26,18,28,13,6/E:(6,7,8,9)(11,12,13,14)(18,19)(21,22)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28Cl2N2O4 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4065 |
Area: | 807.02 |
Solvation: | -6.76903 |
Coulombic: | -61.004 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 515.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 7.32 |
LogP (Chemaxon): | 5.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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