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Chemical ID: 6404383
Chemical ID:
6404383
Name [?]:
N-[1-[4-(carbamoylmethoxy)-3-methoxy-phenyl]ethylideneamino]-2-(2-phenylacetyl)amino-benzamide
SMILES [?]:
CC(=NNC(=O)c1ccccc1NC(=O)Cc2ccccc2)c3ccc(c(c3)OC)OCC(=O)N
InChi [?]:
InChI=1/C26H26N4O5/c1-17(19-12-13-22(23(15-19)34-2)35-16-24(27)31)29-30-26(33)20-10-6-7-11-21(20)28-25(32)14-18-8-4-3-5-9-18/h3-13,15H,14,16H2,1-2H3,(H2,27,31)(H,28,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,30,20,19,21,9,10,18,22,8,11,24,25,16,28,32,2,17,23,7,12,26,27,33,14,5,35,13,3,4,34,15,6,29,31/E:(4,5)(8,9)/rA:35nCCNNCOCCCCCCNCOCCCCCCCCCCCCCOCOCCON/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s2;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88092 |
Area: | 750.573 |
Solvation: | -9.88341 |
Coulombic: | -78.2735 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.509 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 9 |
XLogP: | 3.57 |
LogP (Chemaxon): | 2.87 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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