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Chemical ID: 6003398
Chemical ID:
6003398
Name [?]:
N-(2-morpholinoethyl)-N-(thiazol-2-ylcarbamoylmethyl)adamantane-1-carboxamide
SMILES [?]:
c1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H32N4O3S/c27-19(24-21-23-1-8-30-21)15-26(3-2-25-4-6-29-7-5-25)20(28)22-12-16-9-17(13-22)11-18(10-16)14-22/h1,8,16-18H,2-7,9-15H2,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,12,11,14,18,15,17,2,24,27,29,26,22,30,9,25,23,28,7,19,4,21,5,6,13,10,8,20,16,3/E:(4,5)(6,7)(9,10,11)(12,13,14)(16,17,18)/rA:30nCCSCNNCOCNCCNCCOCCCOCCCCCCCCCC/rB:d1;s2;s3;s1d4;s4;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;d19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32N4O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49675 |
Area: | 623.587 |
Solvation: | -6.09292 |
Coulombic: | -53.5542 |
Bond Count [?]
All: | 34 |
Single: | 30 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.581 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.96 |
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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