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Chemical ID: 7300030
Chemical ID:
7300030
Name [?]:
(2-acetylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CC(=O)c1ccccc1NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H17NO4/c1-14(23)16-9-4-5-12-19(16)22-20(24)13-26-21(25)18-11-6-8-15-7-2-3-10-17(15)18/h2-12H,13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,6,7,19,26,20,5,23,18,8,13,2,21,4,22,17,9,11,15,10,3,12,16,14/rA:26nCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO4 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.197 |
Area: | 561.873 |
Solvation: | -3.84983 |
Coulombic: | -50.4309 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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