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Chemical ID: 4136831
Chemical ID:
4136831
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)C(C)C
InChi [?]:
InChI=1/C27H29ClN2O4/c1-4-32-26-15-21(7-14-25(26)34-17-20-5-10-23(28)11-6-20)16-29-30-27(31)18-33-24-12-8-22(9-13-24)19(2)3/h5-16,19H,4,17-18H2,1-3H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,33,34,2,13,17,7,28,30,14,16,27,31,8,5,19,11,24,32,12,6,29,15,26,9,4,22,18,20,21,23,3,25,10/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H29ClN2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4074 |
Area: | 782.025 |
Solvation: | -9.14323 |
Coulombic: | -41.9869 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.983 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 7.4 |
LogP (Chemaxon): | 6.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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