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Chemical ID: 5983545

c1ccc(cc1)CC(C(=O)Nc2nnc(s2)c3ccccc3)NC(=O)c4ccccc4

Chemical ID:

5983545

Name [?]:

N-[2-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]benzamide

SMILES [?]:

c1ccc(cc1)CC(C(=O)Nc2nnc(s2)c3ccccc3)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C24H20N4O2S/c29-21(18-12-6-2-7-13-18)25-20(16-17-10-4-1-5-11-17)22(30)26-24-28-27-23(31-24)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,29)(H,26,28,30)

InChi Info:

AuxInfo=1/1/N:1,29,20,2,6,28,30,19,21,3,5,27,31,18,22,7,4,26,17,8,24,9,15,12,23,11,14,13,25,10,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:31cCCCCCCCCCONCNNCSCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₄O₂S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4326
Area:	653.841
Solvation:	-3.91348
Coulombic:	-51.0403

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	428.507
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.32
LogP (Chemaxon):	4.46

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