Chemical ID: 4708319

CC(C)(C)NC(=O)C1Cc2ccccc2CN1C(=O)Nc3ccc(cc3)OC
Chemical ID:
4708319
Name [?]:
N,N-bis(3,4-dihydro-1H-isoquinolin-1-yl)-N'-tert-butyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1Cc2ccccc2CN1C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H27N3O3/c1-22(2,3)24-20(26)19-13-15-7-5-6-8-16(15)14-25(19)21(27)23-17-9-11-18(28-4)12-10-17/h5-12,19H,13-14H2,1-4H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,12,13,11,14,22,26,23,25,9,16,10,15,21,24,8,6,18,2,20,5,17,7,19,27/E:(1,2,3)(9,10)(11,12)/rA:28cCCCCNCOCCCCCCCCCNCONCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.75183
Area:580.611
Solvation:-4.76345
Coulombic:-58.4227
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.468
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.1
LogP (Chemaxon):3.05

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