Chemical ID: 5915898

Cc1ccc(s1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(C(C)C)C(=O)C
Chemical ID:
5915898
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-acetamide
SMILES [?]:
Cc1ccc(s1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(C(C)C)C(=O)C
InChi [?]:
InChI=1/C23H32N2O4S/c1-16(2)25(18(4)26)15-23(27)24(14-20-9-7-17(3)30-20)12-11-19-8-10-21(28-5)22(13-19)29-6/h7-10,13,16H,11-12,14-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:26,27,1,30,20,18,3,12,4,13,10,9,16,7,23,25,2,28,11,5,14,15,21,8,24,29,22,19,17,6/E:(1,2)/rA:30nCCCCCSCNCCCCCCCCOCOCCOCNCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s25;s24;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.63018
Area:677.546
Solvation:-7.30846
Coulombic:-45.7269
Bond Count [?]
All:31
Single:24
Double:7
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:432.577
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.1
LogP (Chemaxon):2.1

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Descriptor Annotations

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