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Chemical ID: 6025085
Chemical ID:
6025085
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-cyclopentanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C3CCCC3
InChi [?]:
InChI=1/C25H34N2O2S/c1-19(2)15-27(25(29)22-11-7-8-12-22)18-24(28)26(16-21-9-5-4-6-10-21)17-23-20(3)13-14-30-23/h4-6,9-10,13-14,19,22H,7-8,11-12,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,12,14,28,29,11,15,27,30,3,4,20,9,7,18,21,2,10,26,6,16,24,8,19,17,25,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCSCCNCCCCCCCCOCNCCCCCOCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3553 |
Area: | 632.328 |
Solvation: | -3.45292 |
Coulombic: | -35.7136 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.616 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.76 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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