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Chemical ID: 6596981
Chemical ID:
6596981
Name [?]:
None
SMILES [?]:
CN(Cc1ccccc1)C(=O)COC(=O)c2c3ccccc3nc4c2CCCCC4
InChi [?]:
InChI=1/C25H26N2O3/c1-27(16-18-10-4-2-5-11-18)23(28)17-30-25(29)24-19-12-6-3-7-14-21(19)26-22-15-9-8-13-20(22)24/h2,4-5,8-11,13,15H,3,6-7,12,14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,28,6,8,27,29,19,20,5,9,26,18,30,21,3,12,4,25,17,24,22,10,16,14,23,2,11,15,13/E:(4,5)(10,11)/rA:30nCNCCCCCCCCOCOCOCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s26;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.071 |
Area: | 630.984 |
Solvation: | -3.70364 |
Coulombic: | -43.6881 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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