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Chemical ID: 5916507
Chemical ID:
5916507
Name [?]:
N-benzyl-2-(dimethylcarbamoyl-(tetrahydrofuran-2-ylmethyl)amino)-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CC3CCCO3)C(=O)N(C)C
InChi [?]:
InChI=1/C23H31N3O3S/c1-18-11-12-21(30-18)16-25(14-19-8-5-4-6-9-19)22(27)17-26(23(28)24(2)3)15-20-10-7-13-29-20/h4-6,8-9,11-12,20H,7,10,13-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,13,12,14,23,11,15,22,3,4,24,9,20,7,18,2,10,21,5,16,26,28,8,19,17,27,25,6/E:(2,3)(5,6)(8,9)/rA:30cCCCCCSCNCCCCCCCCOCNCCCCCOCONCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6599 |
Area: | 645.514 |
Solvation: | -5.47793 |
Coulombic: | -50.4198 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 429.577 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.63 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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