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Chemical ID: 6032875

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NC2CC2)C(=O)c3ccccc3

Chemical ID:

6032875

Name [?]:

N-[[4-(cyclopropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide

SMILES [?]:

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NC2CC2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C20H24N4O3S/c1-13(2)24(19(27)14-6-4-3-5-7-14)11-18(26)23-20-22-16(12-28-20)10-17(25)21-15-8-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,25)(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,3,26,25,27,24,28,19,20,14,5,12,2,23,18,11,15,6,21,9,17,10,8,4,16,7,22,13/E:(1,2)(4,5)(6,7)(8,9)/rA:28nCCCNCCONCNCCSCCONCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s18s19;s4;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₄O₃S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0873
Area:	617.18
Solvation:	-5.34226
Coulombic:	-62.3305

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	400.496
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.85
LogP (Chemaxon):	2.1

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value