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Chemical ID: 5984440

CCc1ccccc1NC(=O)NC(C(C)CC)C(=O)Nc2nnc(s2)c3ccc(cc3)C

Chemical ID:

5984440

Name [?]:

2-[(2-ethylphenyl)carbamoylamino]-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-pentanamide

SMILES [?]:

CCc1ccccc1NC(=O)NC(C(C)CC)C(=O)Nc2nnc(s2)c3ccc(cc3)C

InChi [?]:

InChI=1/C24H29N5O2S/c1-5-16(4)20(26-23(31)25-19-10-8-7-9-17(19)6-2)21(30)27-24-29-28-22(32-24)18-13-11-15(3)12-14-18/h7-14,16,20H,5-6H2,1-4H3,(H2,25,26,31)(H,27,29,30)

InChi Info:

AuxInfo=1/1/N:17,1,32,15,16,2,5,6,4,7,28,30,27,31,29,14,3,26,8,13,18,24,10,21,9,12,20,23,22,19,11,25/E:(11,12)(13,14)/rA:32cCCCCCCCCNCONCCCCCCONCNNCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s14;s16;s13;d18;s18;s20;d21;s22;d23;s21s24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₅O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	13.9918
Area:	703.775
Solvation:	-3.60255
Coulombic:	-62.9163

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	451.586
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	5.72
LogP (Chemaxon):	5.13

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