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Chemical ID: 6025480
Chemical ID:
6025480
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)c3cccs3
InChi [?]:
InChI=1/C25H30N2O3S2/c1-3-30-14-8-13-26(25(29)22-11-7-15-31-22)19-24(28)27(17-21-9-5-4-6-10-21)18-23-20(2)12-16-32-23/h4-7,9-12,15-16H,3,8,13-14,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,16,15,17,30,5,14,18,29,22,6,4,31,23,12,19,8,21,13,28,20,9,26,7,11,10,27,3,32,24/E:(5,6)(9,10)/rA:32nCCOCCCNCCONCCCCCCCCCCCCSCCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s21;s7;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O3S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9715 |
Area: | 675.968 |
Solvation: | -4.92767 |
Coulombic: | -44.7599 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 470.649 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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