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Chemical ID: 4401878
Chemical ID:
4401878
Name [?]:
propyl 4-[(3-methoxy-2-naphthyl)carbonylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
InChi [?]:
InChI=1/C22H21NO4/c1-3-12-27-22(25)15-8-10-18(11-9-15)23-21(24)19-13-16-6-4-5-7-17(16)14-20(19)26-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,20,21,19,22,8,12,9,11,3,17,24,7,18,23,10,16,25,14,5,13,15,6,26,4/E:(8,9)(10,11)/rA:27nCCCOCOCCCCCCNCOCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3331 |
Area: | 600.967 |
Solvation: | -4.6911 |
Coulombic: | -49.3534 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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