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Chemical ID: 5920791
Chemical ID:
5920791
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclopropyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C4CC4)C(=O)c5cccs5
InChi [?]:
InChI=1/C24H24N2O4S2/c1-16-8-10-32-22(16)13-25(12-17-4-7-19-20(11-17)30-15-29-19)23(27)14-26(18-5-6-18)24(28)21-3-2-9-31-21/h2-4,7-11,18H,5-6,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,11,24,25,12,3,31,4,15,9,7,21,17,2,10,23,13,14,28,6,19,26,8,22,20,27,18,16,32,5/E:(5,6)/rA:32nCCCCSCCNCCCCCCCOCOCOCNCCCCOCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s23s24;s22;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5399 |
Area: | 618.318 |
Solvation: | -4.918 |
Coulombic: | -51.9406 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.59 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.29 |
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
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