Chemical ID: 5348001

CCC(C)c1ccccc1NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
5348001
Name [?]:
(2-sec-butylphenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C23H29NO3/c1-6-16(2)19-9-7-8-10-20(19)24-21(25)15-27-22(26)17-11-13-18(14-12-17)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,25,26,27,2,7,8,6,9,19,23,20,22,14,3,18,21,5,10,12,16,24,11,13,17,15/E:(3,4,5)(11,12)(13,14)/rA:27cCCCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.706
Area:630.714
Solvation:-3.06188
Coulombic:-44.0396
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:367.481
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.28
LogP (Chemaxon):5.24

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