Chemical ID: 5915043

CC(C)(C)C(=O)N(CC1CCCO1)CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3
Chemical ID:
5915043
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-2,2-dimethyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CC1CCCO1)CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3cccs3
InChi [?]:
InChI=1/C27H38N2O5S/c1-27(2,3)26(31)29(17-21-8-6-14-34-21)19-25(30)28(18-22-9-7-15-35-22)13-12-20-10-11-23(32-4)24(16-20)33-5/h7,9-11,15-16,21H,6,8,12-14,17-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,29,27,11,33,10,32,21,22,19,18,12,34,25,8,30,14,20,9,31,23,24,15,5,2,17,7,16,6,28,26,13,35/E:(1,2,3)/rA:35cCCCCCONCCCCCOCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s9s12;s7;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s17;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H38N2O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.4965
Area:731.639
Solvation:-7.79444
Coulombic:-56.3914
Bond Count [?]
All:37
Single:30
Double:7
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:502.667
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.47
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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