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Chemical ID: 7038285
Chemical ID:
7038285
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C27H28Cl2N2O4/c1-3-4-5-14-35-23-13-12-18(17-24(23)34-2)25(30-26(32)19-8-6-10-21(28)15-19)31-27(33)20-9-7-11-22(29)16-20/h6-13,15-17,25H,3-5,14H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,21,31,20,30,22,32,9,8,5,24,34,11,10,19,29,23,33,7,12,15,17,27,25,35,16,26,18,28,13,6/E:(6,7)(8,9)(10,11)(15,16)(19,20)(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;s23;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28Cl2N2O4 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.308 |
Area: | 803.67 |
Solvation: | -6.78371 |
Coulombic: | -60.871 |
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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