Chemical ID: 6557946

CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)N(c3ccccc3)C(C)C
Chemical ID:
6557946
Name [?]:
[4-(isopropyl-phenyl-amino)phenyl]carbamoylmethyl 4-isopropylbenzoate
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)N(c3ccccc3)C(C)C
InChi [?]:
InChI=1/C27H30N2O3/c1-19(2)21-10-12-22(13-11-21)27(31)32-18-26(30)28-23-14-16-25(17-15-23)29(20(3)4)24-8-6-5-7-9-24/h5-17,19-20H,18H2,1-4H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,31,32,27,26,28,25,29,5,9,6,8,18,22,19,21,13,2,30,4,7,17,24,20,14,10,16,23,15,11,12/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:32nCCCCCCCCCCOOCCONCCCCCCNCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;s23;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.0538
Area:706.152
Solvation:-3.59998
Coulombic:-49.6004
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.76
LogP (Chemaxon):6.12

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Descriptor Annotations

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