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Chemical ID: 5654685

c1ccc2c(c1)c(c[nH]2)CC3C(=O)N(C(=O)N3)CC(=O)NCCc4ccc(cc4)Cl

Chemical ID:

5654685

Name [?]:

N-[2-(4-chlorophenyl)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-acetamide

SMILES [?]:

c1ccc2c(c1)c(c[nH]2)CC3C(=O)N(C(=O)N3)CC(=O)NCCc4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H21ClN4O3/c23-16-7-5-14(6-8-16)9-10-24-20(28)13-27-21(29)19(26-22(27)30)11-15-12-25-18-4-2-1-3-17(15)18/h1-8,12,19,25H,9-11,13H2,(H,24,28)(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,25,29,26,28,23,22,10,8,18,24,7,27,5,4,11,19,12,15,30,21,9,17,14,20,13,16/E:(5,6)(7,8)/rA:30cCCCCCCCCNCCCONCONCCONCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁ClN₄O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.282
Area:	670.498
Solvation:	-4.48047
Coulombic:	-72.1479

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	424.88
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.53
LogP (Chemaxon):	2.99

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