Chemical ID: 6032860

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCc2cccnc2)C(=O)c3ccccc3
Chemical ID:
6032860
Name [?]:
N-isopropyl-N-[[4-(3-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCc2cccnc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H25N5O3S/c1-16(2)28(22(31)18-8-4-3-5-9-18)14-21(30)27-23-26-19(15-32-23)11-20(29)25-13-17-7-6-10-24-12-17/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,25,29)(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,30,29,31,21,20,28,32,22,14,24,18,5,12,2,19,27,11,15,6,25,9,23,17,10,8,4,16,7,26,13/E:(1,2)(4,5)(8,9)/rA:32nCCCNCCONCNCCSCCONCCCCCNCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s4;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N5O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.9473
Area:685.157
Solvation:-6.18161
Coulombic:-67.0805
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.543
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.76
LogP (Chemaxon):2.16

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Descriptor Annotations

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