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Chemical ID: 6025468
Chemical ID:
6025468
Name [?]:
N-benzyl-2-[3-ethoxypropyl-(2-phenylacetyl)-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C28H34N2O3S/c1-3-33-17-10-16-29(27(31)19-24-11-6-4-7-12-24)22-28(32)30(20-25-13-8-5-9-14-25)21-26-23(2)15-18-34-26/h4-9,11-15,18H,3,10,16-17,19-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,32,16,31,33,15,17,5,30,34,14,18,22,6,4,23,28,12,19,8,21,29,13,20,26,9,7,11,27,10,3,24/E:(6,7)(8,9)(11,12)(13,14)/rA:34nCCOCCCNCCONCCCCCCCCCCCCSCCOCCCCCCC/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;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0447 |
Area: | 754.071 |
Solvation: | -5.80708 |
Coulombic: | -43.1646 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 478.647 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.14 |
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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