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Chemical ID: 5916625
Chemical ID:
5916625
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
CCCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3c(ccs3)C
InChi [?]:
InChI=1/C24H32N2O3S/c1-3-8-23(27)26(16-21-11-7-13-29-21)18-24(28)25(15-20-9-5-4-6-10-20)17-22-19(2)12-14-30-22/h4-6,9-10,12,14,21H,3,7-8,11,13,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,21,20,22,10,3,19,23,9,27,11,28,17,7,24,13,26,18,8,25,4,14,16,6,5,15,12,29/E:(5,6)(9,10)/rA:30cCCCCONCCCCCOCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s8s11;s6;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3733 |
Area: | 660.826 |
Solvation: | -5.14733 |
Coulombic: | -42.0603 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.589 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.32 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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