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Chemical ID: 6025309
Chemical ID:
6025309
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2,2-dimethyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-6-13-24(22(27)23(3,4)5)17-21(26)25(15-19-10-8-7-9-11-19)16-20-18(2)12-14-28-20/h7-12,14H,6,13,15-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,26,27,28,2,13,12,14,11,15,19,3,20,9,16,5,18,10,17,6,23,25,4,8,7,24,21/E:(3,4,5)(8,9)(10,11)/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;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4878 |
Area: | 601.79 |
Solvation: | -3.55692 |
Coulombic: | -35.5324 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 400.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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