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Chemical ID: 4215919
Chemical ID:
4215919
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-2-(2-naphthyloxy)propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccccc1O)Oc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H18N2O3/c1-14(20(24)22-21-13-17-8-4-5-9-19(17)23)25-18-11-10-15-6-2-3-7-16(15)12-18/h2-14,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,10,11,20,23,9,12,18,17,25,7,2,19,24,8,16,13,3,6,5,14,4,15/rA:25cCCCONNCCCCCCCOOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s2;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05161 |
Area: | 553.439 |
Solvation: | -5.78436 |
Coulombic: | -44.2321 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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