Chemical ID: 6024262

CCC(=O)N(CC=C)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
Chemical ID:
6024262
Name [?]:
N-allyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
InChi [?]:
InChI=1/C24H32N2O4S/c1-6-12-25(23(27)7-2)17-24(28)26(16-22-18(3)11-14-31-22)13-10-19-8-9-20(29-4)21(15-19)30-5/h6,8-9,11,14-15H,1,7,10,12-13,16-17H2,2-5H3
InChi Info:
AuxInfo=1/0/N:8,1,31,24,22,7,2,16,17,14,28,6,13,29,20,25,9,27,15,18,19,26,3,10,5,12,4,11,23,21,30/rA:31nCCCONCCCCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;d7;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s12;s25;d26;s27;d28;s26s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.0542
Area:697.438
Solvation:-7.3817
Coulombic:-48.175
Bond Count [?]
All:32
Single:24
Double:8
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:444.588
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.38
LogP (Chemaxon):3.18

Name Annotations

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Descriptor Annotations

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