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Chemical ID: 6631969
Chemical ID:
6631969
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H25ClN4O4/c1-2-3-16-35-21-14-8-18(9-15-21)17-28-31-26(34)25(33)30-23-7-5-4-6-22(23)24(32)29-20-12-10-19(27)11-13-20/h4-15,17H,2-3,16H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,22,24,21,8,10,31,33,30,34,7,11,4,12,9,32,29,6,25,20,26,17,15,35,13,28,19,14,27,18,16,5/E:(8,9)(10,11)(12,13)(14,15)/rA:35nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25ClN4O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2181 |
Area: | 768.758 |
Solvation: | -5.00083 |
Coulombic: | -74.8756 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 492.954 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 6.31 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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