Chemical ID: 3888370

CCOC(=O)CCNC(=O)Nc1ccc2c(c1)c(=O)n(c(n2)C)Cc3ccc(cc3)c4ccccc4
Chemical ID:
3888370
Name [?]:
ethyl 3-[[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]carbamoylamino]propanoate
SMILES [?]:
CCOC(=O)CCNC(=O)Nc1ccc2c(c1)c(=O)n(c(n2)C)Cc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C28H28N4O4/c1-3-36-26(33)15-16-29-28(35)31-23-13-14-25-24(17-23)27(34)32(19(2)30-25)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-14,17H,3,15-16,18H2,1-2H3,(H2,29,31,35)
InChi Info:
AuxInfo=1/1/N:1,23,2,34,33,35,32,36,26,30,27,29,13,14,6,7,17,24,21,25,31,28,12,16,15,4,18,9,8,22,11,20,5,19,10,3/E:(5,6)(7,8)(9,10)(11,12)/rA:36nCCOCOCCNCONCCCCCCCONCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s15d21;s21;s20;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28N4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.1431
Area:759.928
Solvation:-4.85512
Coulombic:-75.3272
Bond Count [?]
All:39
Single:26
Double:13
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:484.546
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.9
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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