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Chemical ID: 5973140
Chemical ID:
5973140
Name [?]:
4-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(1-phenylethyl)butanamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CCCN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C22H24N2O4/c1-15(17-7-4-3-5-8-17)23-21(26)9-6-12-24-19-13-18(16(2)25)10-11-20(19)28-14-22(24)27/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,6,5,7,13,4,8,12,19,20,14,17,23,2,26,3,18,16,21,10,24,9,15,27,11,25,22/E:(4,5)(7,8)/rA:28cCCCCCCCCNCOCCCNCCCCCCOCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3971 |
Area: | 624.098 |
Solvation: | -5.20533 |
Coulombic: | -52.9819 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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