Chemical ID: 7467699

Cc1c2c(ncn(c2=O)C(C)C(=O)Nc3ccccc3OC)sc1C(=O)OC(C)C
Chemical ID:
7467699
Name [?]:
isopropyl 3-[1-[(2-methoxyphenyl)carbamoyl]ethyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
Cc1c2c(ncn(c2=O)C(C)C(=O)Nc3ccccc3OC)sc1C(=O)OC(C)C
InChi [?]:
InChI=1/C21H23N3O5S/c1-11(2)29-21(27)17-12(3)16-19(30-17)22-10-24(20(16)26)13(4)18(25)23-14-8-6-7-9-15(14)28-5/h6-11,13H,1-5H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:29,30,1,11,22,17,18,16,19,6,28,2,10,15,20,3,24,12,4,8,25,5,14,7,13,9,26,21,27,23/E:(1,2)/rA:30cCCCCNCNCOCCCONCCCCCCOCSCCOOCCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s4;d2s23;s24;d25;s25;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O5S
All Atoms:53
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6089
Area:649.041
Solvation:-4.61714
Coulombic:-70.3092
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.491
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.92
LogP (Chemaxon):2.85

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Descriptor Annotations

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