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Chemical ID: 4588936
Chemical ID:
4588936
Name [?]:
(5-chloro-2-methylamino-phenyl)-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
CNc1ccc(cc1C(=O)c2cc(c(c(c2)OC)OC)OC)Cl
InChi [?]:
InChI=1/C17H18ClNO4/c1-19-13-6-5-11(18)9-12(13)16(20)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,22,20,5,4,16,12,7,11,6,8,3,15,13,9,14,23,2,10,17,21,19/E:(2,3)(7,8)(14,15)(21,22)/rA:23nCNCCCCCCCOCCCCCCOCOCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82179 |
Area: | 524.471 |
Solvation: | -6.29 |
Coulombic: | -42.2177 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 335.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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