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Chemical ID: 6602474
Chemical ID:
6602474
Name [?]:
(2-isopropyl-6-methyl-phenyl)carbamoylmethyl 4-hydroxybenzoate
SMILES [?]:
Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)O)C(C)C
InChi [?]:
InChI=1/C19H21NO4/c1-12(2)16-6-4-5-13(3)18(16)20-17(22)11-24-19(23)14-7-9-15(21)10-8-14/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,4,3,5,16,20,17,19,11,22,2,15,18,6,9,7,13,8,21,10,14,12/E:(1,2)(7,8)(9,10)/rA:24nCCCCCCCNCOCOCOCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s6;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61617 |
Area: | 552.949 |
Solvation: | -4.20756 |
Coulombic: | -57.3951 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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