Chemical ID: 6025248

CCCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
Chemical ID:
6025248
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C25H36N2O3S/c1-4-5-6-10-13-24(28)26(15-16-30-3)20-25(29)27(18-22-11-8-7-9-12-22)19-23-21(2)14-17-31-23/h7-9,11-12,14,17H,4-6,10,13,15-16,18-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,13,2,3,4,22,21,23,5,20,24,6,28,10,11,29,18,25,14,27,19,26,7,15,9,17,8,16,12,30/E:(8,9)(11,12)/rA:31nCCCCCCCONCCOCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;s26s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36N2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6597
Area:716.67
Solvation:-5.25705
Coulombic:-42.6797
Bond Count [?]
All:32
Single:25
Double:7
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:444.631
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.13
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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