Chemical ID: 7369048

CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)NC(=O)N)C
Chemical ID:
7369048
Name [?]:
(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl 4-ureidobenzoate
SMILES [?]:
CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)NC(=O)N)C
InChi [?]:
InChI=1/C20H20N4O5/c1-20(2)18(27)23-14-5-3-4-6-15(14)24(20)16(25)11-29-17(26)12-7-9-13(10-8-12)22-19(21)28/h3-10H,11H2,1-2H3,(H,23,27)(H3,21,22,28)
InChi Info:
AuxInfo=1/1/N:1,29,8,9,7,10,20,24,21,23,15,19,22,6,11,13,17,3,26,2,28,25,5,12,14,18,4,27,16/E:(1,2)(7,8)(9,10)/rA:29nCCCONCCCCCCNCOCOCOCCCCCCNCONC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4O5
All Atoms:49
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3864
Area:598.276
Solvation:-4.57054
Coulombic:-95.7144
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.397
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:0.57
LogP (Chemaxon):1.28

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Descriptor Annotations

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