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Chemical ID: 7704394
Chemical ID:
7704394
Name [?]:
None
SMILES [?]:
CNC(=O)COc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-24-21(26)16-28-20-15-9-8-14-19(20)23(27)25-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,20,26,19,21,25,27,10,9,18,22,24,28,11,8,5,17,23,12,7,3,16,13,2,15,4,14,6/E:(2,3)(4,5,6,7)(10,11,12,13)(17,18)/rA:28nCNCOCOCCCCCCCONCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s16;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.85011 |
Area: | 613.136 |
Solvation: | -6.47828 |
Coulombic: | -51.9088 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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