Chemical ID: 5926719

CC(c1ccccc1)N(CCC(=O)Nc2nnc(s2)c3cccc(c3)OC)C(=O)c4ccccc4OC
Chemical ID:
5926719
Name [?]:
2-methoxy-N-[2-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)N(CCC(=O)Nc2nnc(s2)c3cccc(c3)OC)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C28H28N4O4S/c1-19(20-10-5-4-6-11-20)32(27(34)23-14-7-8-15-24(23)36-3)17-16-25(33)29-28-31-30-26(37-28)21-12-9-13-22(18-21)35-2/h4-15,18-19H,16-17H2,1-3H3,(H,29,31,33)
InChi Info:
AuxInfo=1/1/N:1,27,37,6,5,7,32,33,22,4,8,21,23,31,34,11,10,25,2,3,20,24,30,35,12,18,28,15,14,17,16,9,13,29,26,36,19/E:(5,6)(10,11)/rA:37cCCCCCCCCNCCCONCNNCSCCCCCCOCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s24;s26;s9;d28;s28;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28N4O4S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.8389
Area:762.791
Solvation:-7.23085
Coulombic:-58.0221
Bond Count [?]
All:40
Single:27
Double:13
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:516.612
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.72
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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