Chemical ID: 7493656

c1ccc(cc1)CCOC(=O)CCC(=O)NC(=S)Nc2ccccc2C(=O)Nc3ccccc3
Chemical ID:
7493656
Name [?]:
phenethyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]butanoate
SMILES [?]:
c1ccc(cc1)CCOC(=O)CCC(=O)NC(=S)Nc2ccccc2C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C26H25N3O4S/c30-23(15-16-24(31)33-18-17-19-9-3-1-4-10-19)29-26(34)28-22-14-8-7-13-21(22)25(32)27-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,32)(H2,28,29,30,34)
InChi Info:
AuxInfo=1/1/N:1,32,2,6,31,33,23,22,3,5,30,34,24,21,13,12,7,8,4,29,25,20,14,10,26,17,28,19,16,15,11,27,9,18/E:(3,4)(5,6)(9,10)(11,12)/rA:34nCCCCCCCCOCOCCCONCSNCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O4S
All Atoms:59
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.2599
Area:750.813
Solvation:-4.51044
Coulombic:-73.2852
Bond Count [?]
All:36
Single:23
Double:13
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:475.561
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.47
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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