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Chemical ID: 5915898
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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