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Chemical ID: 7374512
Chemical ID:
7374512
Name [?]:
2-naphthylcarbamoylmethyl 4-(hydroxymethyl)benzoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)CO
InChi [?]:
InChI=1/C20H17NO4/c22-12-14-5-7-16(8-6-14)20(24)25-13-19(23)21-18-10-9-15-3-1-2-4-17(15)11-18/h1-11,22H,12-13H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,20,22,19,23,8,7,5,24,14,21,9,18,4,6,12,16,11,25,13,17,15/E:(5,6)(7,8)/rA:25nCCCCCCCCCCNCOCOCOCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO4 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25144 |
Area: | 563.484 |
Solvation: | -4.83565 |
Coulombic: | -58.7662 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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