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Chemical ID: 6586005
Chemical ID:
6586005
Name [?]:
(3,5-dimethylphenyl)carbamoylmethyl 4-phenoxybenzoate
SMILES [?]:
Cc1cc(cc(c1)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3)C
InChi [?]:
InChI=1/C23H21NO4/c1-16-12-17(2)14-19(13-16)24-22(25)15-27-23(26)18-8-10-21(11-9-18)28-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,25,24,26,23,27,16,20,17,19,3,7,5,11,2,4,15,6,22,18,9,13,8,10,14,12,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/rA:28nCCCCCCCNCOCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s24;d25;d22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.446 |
Area: | 624.947 |
Solvation: | -4.17763 |
Coulombic: | -49.9181 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.05 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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