Chemical ID: 6031197

CC(c1ccccc1)N(Cc2ccc(cc2OC)OC)Cc3nc(cs3)C(=O)N4CCC(CC4)C(=O)N
Chemical ID:
6031197
Name [?]:
1-[2-[[(2,4-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]thiazol-4-yl]carbonylpiperidine-4-carboxamide
SMILES [?]:
CC(c1ccccc1)N(Cc2ccc(cc2OC)OC)Cc3nc(cs3)C(=O)N4CCC(CC4)C(=O)N
InChi [?]:
InChI=1/C28H34N4O4S/c1-19(20-7-5-4-6-8-20)32(16-22-9-10-23(35-2)15-25(22)36-3)17-26-30-24(18-37-26)28(34)31-13-11-21(12-14-31)27(29)33/h4-10,15,18-19,21H,11-14,16-17H2,1-3H3,(H2,29,33)
InChi Info:
AuxInfo=1/1/N:1,20,18,6,5,7,4,8,12,13,31,33,30,34,15,10,21,25,2,3,32,11,14,24,16,22,35,27,37,23,29,9,36,28,19,17,26/E:(5,6)(7,8)(11,12)(13,14)/rA:37cCCCCCCCCNCCCCCCCOCOCCCNCCSCONCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;s19;s9;s21;d22;s23;d24;s22s25;s24;d27;s27;s29;s30;s31;s32;s29s33;s32;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N4O4S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:11.5162
Area:718.378
Solvation:-6.44322
Coulombic:-69.1632
Bond Count [?]
All:40
Single:30
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:522.66
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.81
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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