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Chemical ID: 6025416
Chemical ID:
6025416
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)C3CCC3
InChi [?]:
InChI=1/C24H32N2O3S/c1-19-12-15-30-22(19)17-26(16-20-8-4-3-5-9-20)23(27)18-25(13-7-14-29-2)24(28)21-10-6-11-21/h3-5,8-9,12,15,21H,6-7,10-11,13-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,12,14,29,21,11,15,28,30,3,20,22,4,9,7,18,2,10,27,6,16,25,19,8,17,26,23,5/E:(4,5)(8,9)(10,11)/rA:30nCCCCSCCNCCCCCCCCOCNCCCOCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s19;d25;s25;s27;s28;s27s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2026 |
Area: | 660.389 |
Solvation: | -5.3071 |
Coulombic: | -41.8277 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 428.589 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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