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Chemical ID: 6023188

c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC4CCCO4)C(=O)c5cccs5

Chemical ID:

6023188

Name [?]:

N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide

SMILES [?]:

c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC4CCCO4)C(=O)c5cccs5

InChi [?]:

InChI=1/C25H26N2O5S2/c28-24(16-27(14-19-4-1-9-30-19)25(29)23-6-3-11-34-23)26(15-20-5-2-10-33-20)13-18-7-8-21-22(12-18)32-17-31-21/h2-3,5-8,10-12,19H,1,4,9,13-17H2

InChi Info:

AuxInfo=1/0/N:25,1,32,24,2,31,10,11,26,5,33,14,8,22,6,20,16,9,23,3,12,13,30,18,28,7,21,19,29,27,17,15,4,34/rA:34cCCCSCCNCCCCCCCOCOCOCNCCCCCOCOCCCCS/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12s16;s7;d18;s18;s20;s21;s22;s23;s24;s25;s23s26;s21;d28;s28;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅S₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	9.11009
Area:	661.445
Solvation:	-7.42604
Coulombic:	-58.1408

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	498.616
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.5
LogP (Chemaxon):	2.66

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