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Chemical ID: 6007597

Cc1cnc(s1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3cccc4c3cccc4

Chemical ID:

6007597

Name [?]:

N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-(3-morpholinopropyl)naphthalene-1-carboxamide

SMILES [?]:

Cc1cnc(s1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3cccc4c3cccc4

InChi [?]:

InChI=1/C24H28N4O3S/c1-18-16-25-24(32-18)26-22(29)17-28(11-5-10-27-12-14-31-15-13-27)23(30)21-9-4-7-19-6-2-3-8-20(19)21/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,31,30,25,13,32,26,29,24,14,12,16,20,17,19,3,10,2,27,28,23,8,21,5,4,7,15,11,9,22,18,6/E:(12,13)(14,15)/rA:32nCCCNCSNCOCNCCCNCCOCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;d21;s21;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9498
Area:	692.175
Solvation:	-6.35461
Coulombic:	-55.9092

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.57
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.81
LogP (Chemaxon):	2.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value