Chemical ID: 6586005

Cc1cc(cc(c1)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3)C
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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