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Chemical ID: 6025353
Chemical ID:
6025353
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-methyl-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-5-12-24(22(26)14-18(2)3)17-23(27)25(15-20-9-7-6-8-10-20)16-21-19(4)11-13-28-21/h6-11,13,18H,5,12,14-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,22,2,13,12,14,11,15,19,3,20,25,9,16,5,26,18,10,17,23,6,4,8,24,7,21/E:(2,3)(7,8)(9,10)/rA:28nCCCNCCONCCCCCCCCCCCCSCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s18;s4;d23;s23;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4169 |
Area: | 636.283 |
Solvation: | -3.49014 |
Coulombic: | -35.3875 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 400.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.23 |
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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