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Chemical ID: 6558045
Chemical ID:
6558045
Name [?]:
(2-isopropyl-6-methyl-phenyl)carbamoylmethyl naphthalene-2-carboxylate
SMILES [?]:
Cc1cccc(c1NC(=O)COC(=O)c2ccc3ccccc3c2)C(C)C
InChi [?]:
InChI=1/C23H23NO3/c1-15(2)20-10-6-7-16(3)22(20)24-21(25)14-27-23(26)19-12-11-17-8-4-5-9-18(17)13-19/h4-13,15H,14H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,20,21,4,3,19,22,5,17,16,24,11,25,2,18,23,15,6,9,7,13,8,10,14,12/E:(1,2)/rA:27nCCCCCCCNCOCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;s6;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4411 |
Area: | 595.297 |
Solvation: | -3.44132 |
Coulombic: | -43.2368 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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