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Chemical ID: 5862139
Chemical ID:
5862139
Name [?]:
4-chloro-N-[1-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methyleneaminocarbamoyl]-3-methyl-butyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2OC)C=NNC(=O)C(CC(C)C)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C29H32ClN3O4/c1-19(2)15-25(32-28(34)23-10-12-24(30)13-11-23)29(35)33-31-17-22-9-14-26(27(16-22)36-4)37-18-21-7-5-20(3)6-8-21/h5-14,16-17,19,25H,15,18H2,1-4H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:26,27,1,17,3,7,4,6,12,32,36,33,35,11,24,14,18,8,25,2,5,13,31,34,23,10,15,29,21,37,19,28,20,30,22,16,9/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:37cCCCCCCCCOCCCCCCOCCNNCOCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;w18;s19;s20;d21;s21;s23;s24;s25;s25;s23;s28;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H32ClN3O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4949 |
Area: | 802.802 |
Solvation: | -7.57517 |
Coulombic: | -57.6746 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 522.035 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 7.46 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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