Chemical ID: 6032837

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccccc3
Chemical ID:
6032837
Name [?]:
N-isopropyl-N-[[4-(morpholinocarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H26N4O4S/c1-15(2)25(20(28)16-6-4-3-5-7-16)13-18(26)23-21-22-17(14-30-21)12-19(27)24-8-10-29-11-9-24/h3-7,14-15H,8-13H2,1-2H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,28,27,29,26,30,18,22,19,21,14,5,12,2,25,11,6,15,23,9,10,8,17,4,7,16,24,20,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:30nCCCNCCONCNCCSCCONCCOCCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;s17s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.017
Area:635.105
Solvation:-6.86062
Coulombic:-65.2869
Bond Count [?]
All:32
Single:24
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.522
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.05
LogP (Chemaxon):1.6

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Descriptor Annotations

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