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Chemical ID: 7277360

CN(c1ccccc1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4

Chemical ID:

7277360

Name [?]:

None

SMILES [?]:

CN(c1ccccc1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4

InChi [?]:

InChI=1/C23H23N3O4/c1-25(17-8-4-2-5-9-17)21(27)15-30-23(29)16-11-12-18-19(14-16)24-20-10-6-3-7-13-26(20)22(18)28/h2,4-5,8-9,11-12,14H,3,6-7,10,13,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,28,5,7,29,27,4,8,30,16,17,26,20,11,15,3,18,19,22,9,24,13,21,2,23,10,25,14,12/E:(4,5)(8,9)/rA:30nCNCCCCCCCOCOCOCCCCCCNCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s22;s18s23;d24;s23;s26;s27;s28;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₃O₄
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.398
Area:	628.35
Solvation:	-4.31079
Coulombic:	-57.9893

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	405.447
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.59
LogP (Chemaxon):	2.51

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value