Chemical ID: 6033764

COCCN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccn2)C(=O)c3ccc(cc3)Cl
Chemical ID:
6033764
Name [?]:
4-chloro-N-(2-methoxyethyl)-N-[[4-(2-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccn2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H24ClN5O4S/c1-33-11-10-29(22(32)16-5-7-17(24)8-6-16)14-21(31)28-23-27-19(15-34-23)12-20(30)26-13-18-4-2-3-9-25-18/h2-9,15H,10-14H2,1H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,29,33,30,32,24,4,3,15,19,6,13,28,31,20,12,16,7,26,10,34,25,18,11,9,5,17,8,27,2,14/E:(5,6)(7,8)/rA:34nCOCCNCCONCNCCSCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s5;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClN5O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.4574
Area:757.773
Solvation:-8.48699
Coulombic:-73.3665
Bond Count [?]
All:36
Single:25
Double:11
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:501.987
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.4
LogP (Chemaxon):1.91

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Descriptor Annotations

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