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Chemical ID: 6631572
Chemical ID:
6631572
Name [?]:
N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N-[(2,5-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl)OC
InChi [?]:
InChI=1/C24H21ClN4O5/c1-33-18-11-12-21(34-2)15(13-18)14-26-29-24(32)23(31)28-20-6-4-3-5-19(20)22(30)27-17-9-7-16(25)8-10-17/h3-14H,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,34,20,19,21,18,28,30,27,31,4,5,8,9,7,29,26,3,22,17,6,23,14,12,32,10,25,16,11,24,15,13,2,33/E:(7,8)(9,10)/rA:34nCOCCCCCCCNNCOCONCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s6;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN4O5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7315 |
Area: | 718.113 |
Solvation: | -6.22131 |
Coulombic: | -80.2039 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.9 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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