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Chemical ID: 7708036
Chemical ID:
7708036
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C(=O)Nc2ccc(c(c2)NC(=O)c3ccccc3OCC)C
InChi [?]:
InChI=1/C25H26N2O4/c1-4-30-22-12-8-6-10-19(22)24(28)26-18-15-14-17(3)21(16-18)27-25(29)20-11-7-9-13-23(20)31-5-2/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,31,2,29,7,24,6,25,8,23,5,26,15,14,18,16,13,9,22,17,4,27,10,20,12,19,11,21,3,28/rA:31nCCOCCCCCCCONCCCCCCNCOCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s29;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1424 |
Area: | 666.02 |
Solvation: | -6.50814 |
Coulombic: | -56.7579 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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