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Chemical ID: 6179480
Chemical ID:
6179480
Name [?]:
None
SMILES [?]:
CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4ccc(cc4)Cc5ccccc5
InChi [?]:
InChI=1/C27H22N2O2/c1-2-29-24-16-15-23(21-9-6-10-22(25(21)24)27(29)31)28-26(30)20-13-11-19(12-14-20)17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,12,27,31,13,11,21,23,20,24,6,5,25,26,22,19,8,10,7,4,9,17,14,16,3,18,15/E:(4,5)(7,8)(11,12)(13,14)/rA:31nCCNCCCCCCCCCCCONCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3s10;d14;s7;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9027 |
Area: | 637.147 |
Solvation: | -3.02601 |
Coulombic: | -41.7661 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.476 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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