Chemical ID: 6003398

c1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)C34CC5CC(C3)CC(C5)C4
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

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Experimental Annotations

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Descriptor Annotations

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