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Chemical ID: 6033536
Chemical ID:
6033536
Name [?]:
N-cyclopropyl-N-[[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonylmethyl)thiazol-2-yl]carbamoylmethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)N3CCC4(CC3)OCCO4)C5CC5
InChi [?]:
InChI=1/C25H30N4O5S/c1-17-2-4-18(5-3-17)23(32)29(20-6-7-20)15-21(30)27-24-26-19(16-35-24)14-22(31)28-10-8-25(9-11-28)33-12-13-34-25/h2-5,16,20H,6-15H2,1H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,34,35,25,27,24,28,30,31,20,11,18,2,5,17,33,12,21,8,15,26,16,14,23,10,13,22,9,29,32,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(33,34)/rA:35nCCCCCCCCONCCONCNCCSCCONCCCCCOCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;s25;s26;s23s27;s26;s29;s30;s26s31;s10;s33;s33s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N4O5S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.907 |
Area: | 728.257 |
Solvation: | -7.29946 |
Coulombic: | -73.4127 |
Bond Count [?]
All: | 39 |
Single: | 31 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 498.596 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.63 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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