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Chemical ID: 5383379
Chemical ID:
5383379
Name [?]:
(2,6-diisopropylphenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2c(cccc2C(C)C)C(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-6-27-18-12-10-17(11-13-18)23(26)28-14-21(25)24-22-19(15(2)3)8-7-9-20(22)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,28,2,20,21,19,6,8,5,9,13,23,26,7,4,22,18,14,17,10,16,15,11,3,12/E:(2,3,4,5)(8,9)(10,11)(12,13)(15,16)(19,20)/rA:28nCCOCCCCCCCOOCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s18;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5237 |
Area: | 639.126 |
Solvation: | -4.45443 |
Coulombic: | -49.5752 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 383.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.42 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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