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Chemical ID: 7377028

CCOC(=O)c1c(csc1NC(=O)COC(=O)C2=NNC(=O)CC2)c3ccc(o3)C

Chemical ID:

7377028

Name [?]:

[3-ethoxycarbonyl-4-(5-methyl-2-furyl)-2-thienyl]carbamoylmethyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

SMILES [?]:

CCOC(=O)c1c(csc1NC(=O)COC(=O)C2=NNC(=O)CC2)c3ccc(o3)C

InChi [?]:

InChI=1/C19H19N3O7S/c1-3-27-19(26)16-11(13-6-4-10(2)29-13)9-30-17(16)20-15(24)8-28-18(25)12-5-7-14(23)22-21-12/h4,6,9H,3,5,7-8H2,1-2H3,(H,20,24)(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,30,2,27,24,26,23,14,8,28,7,18,25,21,12,6,10,16,4,11,19,20,22,13,17,5,3,15,29,9/rA:30nCCOCOCCCSCNCOCOCOCNNCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;s14;s15;d16;s16;d18;s19;s20;d21;s21;s18s23;s7;d25;s26;d27;s25s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₇S
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.40268
Area:	663.45
Solvation:	-7.18357
Coulombic:	-81.9413

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	433.436
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	1.53
LogP (Chemaxon):	1.95

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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